SCHEMBL1704935

SCHEMBL1704935

Cc1cc(C(F)(F)F)c(NC(=O)CN2CCN(CCSc3nc4ccccc4s3)CC2)c(C)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.68
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL1705508 0.99 SOAT1 (0.67) SOAT1LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6476106 0.99 SOAT1 (0.67) SOAT1LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6476112 0.88 SOAT1 (0.54) SOAT1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6281686 0.81 SOAT1 (1.00) SOAT1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4518624 0.80 SOAT1 (0.68) SOAT1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6280530 0.79 SOAT1 (1.00) SOAT1
SCHEMBL6280605 0.79 SOAT1 (1.00) SOAT1
SCHEMBL4512887 0.78 SOAT1 (0.65) SOAT1LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6285378 0.78 SOAT1 (0.77) SOAT1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4827078 0.77 HSD17B10 (0.47) LMNARAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2207/4885LMNA 950/4885SMN1; SMN2 3639/4885
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 SOAT1 19/4885LMNA 4263/4885SMN1; SMN2 4048/4885
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound CA5B, ASIC1, NAAA SOAT1 2641/4885LMNA 1421/4885SMN1; SMN2 3736/4885

“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.