SCHEMBL1704601

SCHEMBL1704601

CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3cc(C(F)(F)F)ccc3o2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 14/20 0.78
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
Hydrochloric Acid SCHEMBL6471841 0.99 SOAT1 (0.76) SOAT1KDM4EALDH1A1USP2CYP1A2
Hydrochloric Acid SCHEMBL1705129 0.99 SOAT1 (0.76) SOAT1KDM4EALDH1A1USP2CYP1A2
Hydrochloric Acid SCHEMBL6471842 0.89 SOAT1 (0.62) SOAT1TMEM97LMNA
SCHEMBL4513200 0.87 SOAT1 (1.00) SOAT1ALDH1A1
SCHEMBL4516627 0.84 SOAT1 (0.74) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6286182 0.83 SOAT1 (0.91) SOAT1ALDH1A1
SCHEMBL6282626 0.81 SOAT1 (0.88) SOAT1ALDH1A1
SCHEMBL282683 0.81 SOAT1 (1.00) SOAT1LMNA
SCHEMBL6283728 0.78 SOAT1 (0.78) SOAT1ALDH1A1
SCHEMBL6280133 0.77 SOAT1 (0.81) SOAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518936-B2 Method for preparing acid addition salts of polyacidic basic compounds KOWA CO., LTD. (JP) 2013-08-27 US claimed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP claimed
US-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS KOWA CO., LTD. (JP) 2010-09-16 US claimed
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2006-04-13 US claimed
EP-1598346-A1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND Kowa Co., Ltd. (JP) 2005-11-23 EP claimed
US-8518936-B2 Method for preparing acid addition salts of polyacidic basic compounds KOWA CO., LTD. (JP) 2013-08-27 US disclosed
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP disclosed
US-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS KOWA CO., LTD. (JP) 2010-09-16 US disclosed
US-7750150-B2 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2010-07-06 US disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2006-04-13 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 EP disclosed
EP-1598346-A1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND Kowa Co., Ltd. (JP) 2005-11-23 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 (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-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS PGA5, NAAA, CA6 SOAT1 2207/4885KDM4E 3011/4885ALDH1A1 1557/4885
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 SOAT1 19/4885KDM4E 795/4885ALDH1A1 298/4885
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound CA5B, ASIC1, NAAA SOAT1 2641/4885KDM4E 3217/4885ALDH1A1 1334/4885

“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.