SCHEMBL6833101

SCHEMBL6833101

O=C(Nc1ccc(I)cc1C(=O)O)c1cc(-c2ccccc2F)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
NPC1 O15118 6/20 0.53
MEN1 O00255 6/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SCD5 Q86SK9 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
PTPRE P23469 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL6830546 0.90 KMT2A (0.53) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6835773 0.88 KMT2A (0.54) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6835694 0.87 KMT2A (0.49) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6830647 0.85 KMT2A (0.49) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6835638 0.85 STAT3 (0.58) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6834132 0.83 NPC1 (0.57) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6833999 0.78 NPC1 (0.61) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL1309690 0.77 PTPRC (0.59) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL70022 0.76 ALDH1A1 (0.62) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6821659 0.76 NPC1 (0.62) KMT2ANPC1MEN1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2853/4885NPC1 3778/4885MEN1 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.