SCHEMBL179124

SCHEMBL179124

CCc1ccc(-c2csnn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
POLB P06746 2/20 0.63
NOTUM Q6P988 1/20 0.63
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
BRS3 P32247 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MGLL Q99685 2/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45

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
SCHEMBL10161660 0.85 KMT2A (0.59) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL19900671 0.83 KMT2A (0.78) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL19938080 0.81 KMT2A (0.54) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL632993 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL4573216 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL95791 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL95792 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL219769 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL3001943 0.81 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL10130596 0.80 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-18 US disclosed
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-04 US disclosed
US-9573942-B2 HIV inhibiting 5-amido substituted pyrimidines JANSSEN SCIENCES IRELAND UC (IE) 2017-02-21 US disclosed
US-20150099749-A1 HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES JANSSEN SCIENCES IRELAND UC (IE) 2015-04-09 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070208022-A1 HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-09-06 US disclosed
US-20070208022-A1 HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-09-06 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
EP-1345943-B1 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM CA LTD (CA) 2007-03-21 EP disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (10 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 KMT2A 1162/4885POLB 3173/4885NOTUM 512/4885
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 KMT2A 1755/4885POLB 436/4885NOTUM 4211/4885
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 KMT2A 1755/4885POLB 436/4885NOTUM 4211/4885
US-20150099749-A1 HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES TYMS, TYMP, DUT KMT2A 3644/4885POLB 165/4885NOTUM 3409/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KMT2A 4711/4885POLB 4123/4885NOTUM 2693/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 KMT2A 4556/4885POLB 1822/4885NOTUM 2701/4885
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NSUN2, NSUN3, RNGTT KMT2A 1739/4885POLB 633/4885NOTUM 4318/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 KMT2A 4217/4885POLB 2553/4885NOTUM 1113/4885
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 KMT2A 1598/4885POLB 450/4885NOTUM 4231/4885
US-20070208022-A1 HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES CCNO, COX6C, CCR6 KMT2A 1704/4885POLB 365/4885NOTUM 4480/4885

“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.