SCHEMBL7515095

SCHEMBL7515095

COOC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.60
CREBBP Q92793 1/20 0.60
HTR3E A5X5Y0 2/20 0.58
HTR3B O95264 2/20 0.58
HTR3A P46098 2/20 0.58
HTR3D Q70Z44 2/20 0.58
HTR3C Q8WXA8 2/20 0.58
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
CFTR P13569 8/20 0.55
PBRM1 Q86U86 1/20 0.53
GPR84 Q9NQS5 1/20 0.51
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL2052030 0.88 NR4A2 (0.79) NR4A2CREBBPHTR3EHTR3BHTR3A
SCHEMBL29696613 0.88 NR4A2 (0.79) NR4A2CREBBPHTR3EHTR3BHTR3A
SCHEMBL376662 0.84 GABRA1 (0.69) GABRA1GABRB2CFTRGABRB1GABRA3
SCHEMBL29475801 0.84 GABRA1 (0.69) GABRA1GABRB2CFTRGABRB1GABRA3
Hydrochloric Acid SCHEMBL30417898 0.82 GABRA1 (0.67) GABRA1GABRB2CFTRGABRB1GABRA3
Hydrochloric Acid SCHEMBL29008098 0.82 GABRA1 (0.67) GABRA1GABRB2CFTRGABRB1GABRA3
SCHEMBL28306489 0.81 NR4A2 (0.56) NR4A2CREBBPHTR3EHTR3BHTR3A
SCHEMBL22704179 0.81 GABRA1 (0.61) NR4A2CREBBPGABRA1GABRB2CFTR
SCHEMBL29551347 0.80 CFTR (0.67) NR4A2GABRA1GABRB2CFTRPBRM1
SCHEMBL377150 0.80 CFTR (0.67) NR4A2GABRA1GABRB2CFTRPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP claimed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 WO claimed
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 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-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 NR4A2 1446/4885CREBBP 4116/4885HTR3E 3924/4885

“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.