SCHEMBL6708939

SCHEMBL6708939

COc1ccc(OC)c(NC(=O)Nc2ccc3cc(C(=O)Nc4ccc(Br)cc4-c4nnn[nH]4)n(C)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 3/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 2/20 0.38
MALT1 Q9UDY8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPA1 O75762 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 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
SCHEMBL6708947 0.92 MAPT (0.49) MAPTALDH1A1TSHRNTRK1NTRK2
SCHEMBL6919514 0.89 MAPT (0.45) MAPTALDH1A1TSHRNTRK1NTRK2
SCHEMBL6707636 0.89 GPR35 (0.46) MAPTALDH1A1TSHRSMN1; SMN2GPR35
SCHEMBL6708958 0.86 MAPT (0.46) MAPTALDH1A1TSHRNTRK1NTRK2
SCHEMBL6713231 0.84 GRM4 (0.39) MAPTSMN1; SMN2GPR35POLBHSD17B10
SCHEMBL6711946 0.83 HPGD (0.39) ALDH1A1GPR35HPGD
SCHEMBL6711717 0.81 GPR35 (0.38) MAPTGPR35POLB
SCHEMBL6707804 0.80 MAPT (0.43) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL6713924 0.80 GPR35 (0.41) MEN1KMT2ASMN1; SMN2GPR35MAPK1
SCHEMBL6707879 0.80 RXFP1 (0.37) MAPTALDH1A1MEN1KMT2APOLB

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 MAPT 4754/4885ALDH1A1 123/4885TSHR 3901/4885

“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.