SCHEMBL4173713

SCHEMBL4173713

Nc1cc(CCl)ccc1Sc1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
PTPRG P23470 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP1A2 P05177 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL4185604 0.84 ALDH1A1 (0.47) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4637537 0.81 ALDH1A1 (0.71) KDM4EALDH1A1TDP1PTPRGLMNA
SCHEMBL29441695 0.81 KDM4E (0.75) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL17080193 0.81 KDM4E (0.75) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL3381158 0.80 KDM4E (1.00) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL2032649 0.78 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAPOLB
Bromide SCHEMBL10675654 0.78 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL3998999 0.78 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL3193541 0.78 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL3195118 0.78 KDM4E (0.71) KDM4EALDH1A1TDP1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
EP-1406881-B8 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR CAMH (CA) 2006-10-25 EP disclosed
EP-1406881-B1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR INC (CA) 2006-09-13 EP disclosed
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2006-07-27 US disclosed
EP-1593676-A1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor Neuromolecular, Inc. (CA) 2005-11-09 EP disclosed
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2005-10-06 US disclosed
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed
EP-1406881-A1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR Neuromolecular, Inc. (CA) 2004-04-14 EP disclosed
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor NEUROMOLECULAR, INC. (CA) 2003-07-17 US disclosed
WO-2003000670-A1 A11-PIPERAZINYLDIBENZO (B, F) (1, 4) OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR, INC. (CA) 2003-01-03 WO 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 (4 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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A KDM4E 4024/4885ALDH1A1 1345/4885TDP1 4461/4885
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A KDM4E 4024/4885ALDH1A1 1345/4885TDP1 4461/4885
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A KDM4E 4024/4885ALDH1A1 1345/4885TDP1 4461/4885
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor OPRD1, HTR1A, DRD2 KDM4E 4181/4885ALDH1A1 894/4885TDP1 4180/4885

“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.