SCHEMBL2104393

SCHEMBL2104393

[c]1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.72
RAB9A P51151 11/20 0.72
GAA P10253 1/20 0.72
KDM4E B2RXH2 10/20 0.66
ALDH1A1 P00352 10/20 0.66
PKN1 Q16512 1/20 0.66
PKN2 Q16513 1/20 0.66
SMN1; SMN2 Q16637 8/20 0.64
PKM P14618 5/20 0.64
HSD17B10 Q99714 4/20 0.64
TP53 P04637 3/20 0.64
ABCB11 O95342 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HPGD P15428 5/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 2/20 0.64
GFER P55789 1/20 0.64
HDAC6 Q9UBN7 1/20 0.58
USP2 O75604 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL27845522 0.98 NPC1 (0.70) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL29386825 0.86 NPC1 (0.88) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2178266 0.86 NPC1 (0.88) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL24295036 0.84 NPC1 (0.84) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL105095 0.84 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
Benzene SCHEMBL28005151 0.84 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
Potassium SCHEMBL4891434 0.82 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2147022 0.82 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL22499602 0.82 NPC1 (0.81) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4775610 0.82 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195829-A Organometallic compound, organic light emitting device including the same, and diagnostic composition including the organometallic compound 三星电子株式会社 2022-03-18 CN claimed
CN-112079874-A Organometallic compound, organic light emitting device including the same, and diagnostic composition including the organometallic compound 三星电子株式会社 2020-12-15 CN claimed
EP-3300114-B1 IMAGING ELEMENT, MULTILAYER IMAGING ELEMENT AND IMAGING DEVICE SONY CORP (JP) 2020-01-08 EP claimed
US-9112159-B2 Bipolar hosts for light emitting devices NITTO DENKO CORPORATION (JP) 2015-08-18 US claimed
WO-2014093361-A1 BIPOLAR HOSTS FOR LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2014-06-19 WO claimed
US-20140163237-A1 BIPOLAR HOSTS FOR LIGHT EMITTING DEVICES Nitto Denko Corportion (JP) 2014-06-12 US claimed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US claimed
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US claimed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US claimed
CN-101223174-A Novel derivatives of heptaazaphenalene, method for obtaining them, and their use as UV radiation protective agents ISDIN SA (ES) 2008-07-16 CN claimed
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP claimed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO claimed
US-5501850-A COSMETICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-26 US claimed
EP-0581955-A1 USE OF BENZIMIDAZOLE DERIVATIVES AS PROTECTIVE LIGHT FILTERS. MERCK PATENT GMBH (DE) 1994-02-09 EP claimed
WO-1993015712-A1 USE OF BENZIMIDAZOLE DERIVATIVES AS PROTECTIVE LIGHT FILTERS MERCK PATENT GMBH (DE) 1993-08-19 WO claimed
CN-111825518-B Organic compound, organic electroluminescent device, and electronic device 陕西莱特光电材料股份有限公司 2021-06-11 CN disclosed
CN-112521369-A Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2021-03-19 CN disclosed
US-4172081-A Benzotriazole ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-10-23 US disclosed
US-4116929-A POLYESTERS EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4017508-A POLYMERS EASTMAN KODAK COMPANY (US) 1977-04-12 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 (3 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-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ERCC4, XPA, CYP51A1 NPC1 444/4885RAB9A 1841/4885GAA 827/4885
US-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 NPC1 1666/4885RAB9A 2408/4885GAA 2573/4885
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS PRSS12, NLN, MTPN NPC1 771/4885RAB9A 2905/4885GAA 820/4885

“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.