SCHEMBL6440086

SCHEMBL6440086

O=Cc1cc(-c2cccc(Cl)c2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
NOTUM Q6P988 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
EGFR P00533 2/20 0.38

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
SCHEMBL250034 0.80 CTRC (0.45) NPC1RAB9A
SCHEMBL6838897 0.79 ENPP3 (0.44) NOTUMNPC1TP53TSHRRAB9A
SCHEMBL17428947 0.73 SCN5A (0.34) ESR2NPC1RAB9A
SCHEMBL5536258 0.73 ALOX5 (0.44) ALOX5NOTUMTAAR1EGFRESR2
SCHEMBL5536267 0.73 ESR2 (0.49) ALOX5NOTUMTAAR1ESR2NPC1
SCHEMBL624327 0.72 ALDH1A1 (0.60) ALOX5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL17398385 0.72 PNMT (0.41) TAAR1SMN1; SMN2PGR
SCHEMBL1443724 0.72 TRIM24 (0.53) ALOX5TAAR1ESR2NPC1RAB9A
SCHEMBL31222672 0.72 ALOX5 (0.65) ALOX5NOTUMTAAR1ESR2NPC1
SCHEMBL817554 0.72 ALOX5 (0.65) ALOX5NOTUMTAAR1ESR2NPC1

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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALOX5 2037/4885NOTUM 3320/4885TAAR1 2017/4885

“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.