SCHEMBL642604

SCHEMBL642604

Nc1ccccc1Sc1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL11198611 0.84 HSD17B10 (0.43) KMT2AMAPTNPSR1APOBEC3GCYP1A2
SCHEMBL1338872 0.79 ALDH1A1 (0.51) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL29869345 0.78 MEN1 (0.68) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL713707 0.78 MEN1 (0.68) MEN1KMT2AMAPTNPSR1APOBEC3G
Hydrochloric Acid SCHEMBL8645056 0.76 MEN1 (0.65) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL6003193 0.76 MEN1 (0.65) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL28048983 0.74 HSD17B10 (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL641211 0.72 DDAH1 (0.52) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL2129184 0.72 HSD17B10 (0.46) MAPTAPOBEC3GCYP1A2CYP3A4CYP2C9
Sulfuric Acid SCHEMBL8645100 0.71 PDE7A (0.53) MEN1KMT2AMAPTNPSR1APOBEC3G

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 — — EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 — — EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 — — EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 — — WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 — — WO disclosed
US-4888047-A FOR ANNUAL AND PERENNIAL GRASSES AND BROADLEAF WEEDS; POSTEMERGENCE ICI AMERICAS INC. (US) 1989-12-19 — — US disclosed
EP-0219835-A2 Acylaminoaryloxy and arylthio pyrimidines STAUFFER CHEMICAL COMPANY (US) 1987-04-29 — — EP 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 (1 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 MEN1 3253/4885KMT2A 1997/4885MAPT 4851/4885

“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.

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