SCHEMBL1705136

SCHEMBL1705136

Cc1cc(C(F)(F)F)c(NC(=O)CBr)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
SORT1 Q99523 2/20 0.35
AR P10275 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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 SCHEMBL6474971 0.91 LMNA (0.41) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL1704930 0.77 LCK (0.42) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL25285357 0.77 ALDH1A1 (0.40) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL4827078 0.75 HSD17B10 (0.47) TSHRALDH1A1LMNACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6474180 0.71 LMNA (0.39) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL1705411 0.70 CNR2 (0.39) ALDH1A1CYP1A2KDM4EGLA
Hydrochloric Acid SCHEMBL6476103 0.70 ITGB1 (0.38) TSHRALDH1A1LMNAITGB1ITGA4
SCHEMBL27981307 0.70 HTT (0.49) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL29141010 0.70 NOTUM (0.46) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL27764491 0.69 ALDH1A1 (0.42) TSHRALDH1A1LMNACYP1A2CYP2C19

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
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
CN-102702171-A Process for producing acid adduct salt of polyacidic base compound KOWA CO 2012-10-03 CN disclosed
CN-1753886-B Method for producing acid addition salt of polybasic base compound KOWA CO 2012-07-18 CN 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
CN-1753886-A Method for producing acid addition salt of polybasic base compound KOWA CO (JP) 2006-03-29 CN 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 TSHR 4702/4885ALDH1A1 1557/4885LMNA 950/4885
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 TSHR 3864/4885ALDH1A1 298/4885LMNA 4263/4885
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound CA5B, ASIC1, NAAA TSHR 4829/4885ALDH1A1 1334/4885LMNA 1421/4885

“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.