SCHEMBL6708959

SCHEMBL6708959

CCCCOc1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GPR35 Q9HC97 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
AGER Q15109 3/20 0.34
PDE2A O00408 4/20 0.33

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
SCHEMBL6709851 0.90 RXFP1 (0.39) LMNAMAPTRXFP1TP53POLB
SCHEMBL6707636 0.89 GPR35 (0.46) GPR35SMN1; SMN2MAPTHIF1ANPSR1
SCHEMBL6714035 0.89 ROCK2 (0.36) AKR1C2AKR1C1LMNAMAPTTP53
SCHEMBL6713419 0.88 SRD5A2 (0.44) GPR35SMN1; SMN2LMNAMAPTHIF1A
SCHEMBL6708937 0.88 KDM1A (0.42) GPR35
SCHEMBL6713492 0.88 GPR35 (0.37) GPR35LMNAMAPTHIF1ANPSR1
SCHEMBL6713361 0.87 KDM1A (0.41) GPR35
SCHEMBL6713703 0.84 AKR1C2 (0.40) AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2
SCHEMBL6707879 0.84 RXFP1 (0.37) LMNAMAPTHIF1ANPSR1RXFP1
SCHEMBL6711912 0.83 EPHX1 (0.40) RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 AKR1C2 2196/4885AKR1C1 1676/4885GPR35 2928/4885

“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.