SCHEMBL6823830

SCHEMBL6823830

Cc1[c]cccc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 2/20 0.38
PTGS1 P23219 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
AHR P35869 1/20 0.35
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2565144 0.83 TDP1 (0.35) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL10623223 0.82 PTGS2 (0.38) PTGS2SLC6A4CYP1A2HPGDHSD17B10
SCHEMBL435264 0.81 CYP1A2 (0.42) PTGS2SLC6A4SLC6A3CYP1A2PTGS1
SCHEMBL695988 0.81 PDCD1 (0.39) PTGS2SLC6A4NPC1RAB9AHPGD
SCHEMBL2014605 0.80 PTGS2 (0.42) PTGS2SLC6A4SLC6A3PTGS1TGFBR1
SCHEMBL7459931 0.80 ALDH1A1 (0.39) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL8524724 0.79 AHR (0.47) CYP1A2NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL20956991 0.79 ESR2 (0.42) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22115865 0.78
SCHEMBL4653269 0.78 CYP1A2 (0.39) PTGS2SLC6A4SLC6A3CYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016142486-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANTI-ANGIOGENIC RESISTANT CANCER INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE BELLVITGE (IDIBELL) (ES) 2016-09-15 WO disclosed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 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 (1 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R PTGS2 3400/4885SLC6A4 1673/4885SLC6A3 1726/4885

“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.