SCHEMBL1172997

SCHEMBL1172997

N#CC(C#N)=Cc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MAPT P10636 5/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
GLA P06280 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19474912 0.89 KMT2A (0.53) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19469424 0.89 KMT2A (0.53) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19474911 0.89 KMT2A (0.53) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19506136 0.77 KMT2A (0.53) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1889486 0.77 NPC1 (0.59) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15105974 0.77 DPP4 (0.54) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24922336 0.76 MAPT (0.51) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11153838 0.76 KMT2A (0.72) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4909719 0.76 KMT2A (0.63) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9360486 0.76 KMT2A (0.72) KMT2AMAPTNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119277948-A Perovskite passivation material, passivation unit and perovskite battery 天合光能股份有限公司 2025-01-07 CN claimed
US-20200388881-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL THIOPHENE COMPOUNDS OR DERIVATIVES OF THIOPHENE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US claimed
CN-119277948-A Perovskite passivation material, passivation unit and perovskite battery 天合光能股份有限公司 2025-01-07 CN disclosed
CN-118287150-A Method for efficiently catalyzing Knoevenagel condensation reaction by porphyrin and quaternary ammonium salt synergistic catalytic system 沈阳药科大学 2024-07-05 CN disclosed
CN-117919443-A Covalent organic framework combining diagnosis of hypoxia-activated therapy and self-accelerating drug release to coordinate cancer immunotherapy 长春工业大学 2024-04-26 CN disclosed
CN-117623983-A Method for constructing cyclopentene skeleton by directly cyclizing allyl alcohol 南京工业大学 2024-03-01 CN disclosed
US-11569530-B2 Silicon-based energy storage devices with functional thiophene compounds or derivatives of thiophene containing electrolyte additives ENEVATE CORPORATION (US) 2023-01-31 US disclosed
US-11352500-B2 Squaraine-based molecules as material for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2022-06-07 US disclosed
US-20200388881-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL THIOPHENE COMPOUNDS OR DERIVATIVES OF THIOPHENE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed
US-20200388881-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL THIOPHENE COMPOUNDS OR DERIVATIVES OF THIOPHENE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20110028656-A1 Band gap control in conjugated oligomers and polymers via Lewis acids NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-02-03 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-1305026-B1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA SPA (IT) 2009-05-13 EP disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 US disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 US disclosed
US-4184871-A A,B-UNSATURATED NITRILE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1980-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 KMT2A 1484/4885MAPT 4761/4885NPC1 1996/4885
US-11569530-B2 Silicon-based energy storage devices with functional thiophene compounds or derivatives of thiophene containing electrolyte additives TST, SELENOI, SELE KMT2A 1639/4885MAPT 2243/4885NPC1 3178/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO KMT2A 1715/4885MAPT 4363/4885NPC1 1790/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA KMT2A 418/4885MAPT 3423/4885NPC1 2098/4885
US-20200388881-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL THIOPHENE COMPOUNDS OR DERIVATIVES OF THIOPHENE CONTAINING ELECTROLYTE ADDITIVES TST, SELENOI, SELE KMT2A 1639/4885MAPT 2243/4885NPC1 3178/4885
US-20110028656-A1 Band gap control in conjugated oligomers and polymers via Lewis acids PCNA, CLTB, GJB2 KMT2A 2226/4885MAPT 2207/4885NPC1 4502/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.