SCHEMBL6867910

SCHEMBL6867910

N#Cc1cc(Br)ccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PLA2G7 Q13093 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
SCN9A Q15858 1/20 0.41
AR P10275 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL490118 0.90 CYP19A1 (0.48) POLBGAASLC6A4HTR6SMN1; SMN2
SCHEMBL26936308 0.90 ALDH1A1 (0.49) POLBGAASMN1; SMN2ALDH1A1MAOB
SCHEMBL26936315 0.85 FNTA (0.49) POLBGAASLC6A4SMN1; SMN2ALDH1A1
SCHEMBL28487747 0.82 ALDH1A1 (0.57) POLBGAASMN1; SMN2ALDH1A1MAOB
SCHEMBL523138 0.81 SMN1; SMN2 (0.62) POLBGAASMN1; SMN2ALDH1A1MAOB
SCHEMBL1095421 0.80 SCN9A (0.57) SCN9AAR
SCHEMBL875802 0.79 CYP1A2 (0.46) POLBSCN9AAR
SCHEMBL1197429 0.79 CYP1A2 (0.57) POLBGAASLC6A4SMN1; SMN2ALDH1A1
SCHEMBL5553314 0.79 ALDH1A1 (0.59) POLBGAASMN1; SMN2ALDH1A1PLA2G7
SCHEMBL4103326 0.79 HTR2A (0.53) POLBGAASLC6A4SMN1; SMN2ALDH1A1

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
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
EP-1242076-A4 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1242076-A1 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-25 EP disclosed
US-6316474-B1 TREATMENT OF PAIN, SCHIZOPHRENIA, PARKINSON'S DISEASE, STROKE AND DEPRESSION MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO disclosed
WO-2001032174-A1 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 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 (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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI POLB 1457/4885GAA 4375/4885SLC6A4 3145/4885

“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.