SCHEMBL6834207

SCHEMBL6834207

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
NPC1 O15118 3/20 0.72
ALDH1A1 P00352 1/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
HPGD P15428 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.67
SORT1 Q99523 1/20 0.61
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
HDAC8 Q9BY41 2/20 0.54

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
SCHEMBL18963259 0.84 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6834036 0.84 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6833642 0.82 RAB9A (0.67) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6835683 0.81 AKR1C2 (0.60) MEN1KMT2AALDH1A1HPGDSORT1
SCHEMBL22213509 0.79 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6834682 0.79 SORT1 (0.60) RAB9AMEN1KMT2ANPC1SORT1
SCHEMBL6357745 0.78 DHODH (0.78) RAB9AMEN1KMT2ANPC1AKR1C4
SCHEMBL9513479 0.77 MAPT (0.80) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL15903102 0.76 SORT1 (1.00) RAB9ANPC1SORT1
SCHEMBL15903104 0.76 SORT1 (0.90) RAB9ANPC1SORT1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 RAB9A 4337/4885SMN1; SMN2 2022/4885MEN1 4132/4885

“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.