SCHEMBL7001806

SCHEMBL7001806

CC(=O)Nc1ccc(Br)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.41
EPHX1 P07099 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL21631387 0.85 RXFP1 (0.53) RXFP1CA1CA2CA9KDM4E
SCHEMBL2429572 0.85 RXFP1 (0.53) RXFP1CA1CA2CA9KDM4E
SCHEMBL31387660 0.85 RXFP1 (0.53) RXFP1CA1CA2CA9KDM4E
SCHEMBL1643973 0.84 RXFP1 (0.56) RXFP1CA1CA2CA9KDM4E
SCHEMBL31387679 0.84 RXFP1 (0.56) RXFP1CA1CA2CA9KDM4E
SCHEMBL11015754 0.79 ALDH1A1 (0.46) RXFP1CA1CA2CA9KDM4E
SCHEMBL7754189 0.78 POLB (0.53) RXFP1CA1CA2CA9KDM4E
SCHEMBL26921670 0.77 RXFP1 (0.49) RXFP1CA1CA2CA9KDM4E
SCHEMBL13715404 0.77 KDM4E (0.50) RXFP1CA1CA2CA9KDM4E
SCHEMBL17072005 0.77 KDM4E (0.50) RXFP1CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-05-25 US disclosed
US-9546157-B2 Asymmetric piperidinyl-substituted ureas as medicines HELSINN HEALTHCARE SA (CH) 2017-01-17 US disclosed
WO-2015134839-A1 P-SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2015-09-11 WO disclosed
US-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2015-09-10 US disclosed
EP-1003738-B1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-11-19 EP disclosed
US-6391891-B1 ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-21 US disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-1003738-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1999007700-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-02-18 WO disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 (2 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-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof UTS2R, GIPR, GPR119 RXFP1 207/4885CA1 3507/4885CA2 3124/4885
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GHSR, GPR119 RXFP1 192/4885CA1 2425/4885CA2 2363/4885

“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.