SCHEMBL2518980

SCHEMBL2518980

NCCc1nc(Cl)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.50
GABRD O14764 3/20 0.50
GABRA1 P14867 3/20 0.50
GABRB1 P18505 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRA4 P48169 3/20 0.50
GABRE P78334 3/20 0.50
GABRA6 Q16445 3/20 0.50
GABRG1 Q8N1C3 3/20 0.50
GABRG3 Q99928 3/20 0.50
GABRQ Q9UN88 3/20 0.50
HMGB1 P09429 1/20 0.40
NAPRT Q6XQN6 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
Fluoride SCHEMBL2519874 0.98 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2519871 0.85 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1969600 0.80 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30159082 0.79 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL524642 0.79 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17978130 0.76 COPS5 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28896088 0.72 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL393852 0.72 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26448756 0.71 TAAR1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL56617 0.71 SMN1; SMN2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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
US-8470847-B2 Derivatives of 7-alkynyl-1,8-naphthyridones, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-06-25 US disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-20100144757-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-10 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 (2 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-20100144757-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS ALK, ABL1, SMPD1 GABRP 4637/4885GABRD 4511/4885GABRA1 3630/4885
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, PAICS, SLCO1B1 GABRP 2696/4885GABRD 2015/4885GABRA1 1650/4885

“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.