SCHEMBL6830260

SCHEMBL6830260

Cc1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)c(C)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
KDM4E B2RXH2 2/20 0.49
BRCA1 P38398 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 5/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
ALB P02768 1/20 0.47
ALDH1A1 P00352 5/20 0.46
PKM P14618 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6821974 0.81 HPGD (0.56) HPGDAKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL6830333 0.79 MAPT (0.49) HPGDKDM4EHSD17B10RAB9AMAPT
SCHEMBL6359401 0.77 ALB (0.63) RAB9AMAPTNPC1ALBALDH1A1
SCHEMBL6834631 0.77 SMN1; SMN2 (0.52) HPGDRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL6353963 0.76 KMT2A (0.62) AKR1C3AKR1C2AKR1C1MAPTALB
SCHEMBL6357568 0.75 ALDH1A1 (0.70) AKR1C3AKR1C2AKR1C1KDM4ERAB9A
SCHEMBL6358978 0.75 ALB (0.55) RAB9AMAPTALBALDH1A1PKM
SCHEMBL6346687 0.75 ALB (0.60) AKR1C3AKR1C2AKR1C1RAB9AMAPT
SCHEMBL6814636 0.73 CYP1A2 (0.57) KDM4EHSD17B10RAB9AMAPTALB
SCHEMBL6353430 0.73 MAPT (0.57) HPGDAKR1C3AKR1C2KDM4EHSD17B10

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 HPGD 1657/4885AKR1C3 2981/4885AKR1C2 2596/4885

“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.