SCHEMBL7055588

SCHEMBL7055588

COc1ccc(-c2ccn(C(=O)O)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 6/20 0.55
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47

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
SCHEMBL3367212 0.82 SCN4A (0.77) SCN4AALDH1A1LMNAHTTKDM4E
SCHEMBL16974003 0.81 SMN1; SMN2 (0.50) SCN4ACYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL4491543 0.80 FYN (0.49) SCN4AHSD17B10ALDH1A1HTTKDM4E
SCHEMBL6775662 0.80 SCN4A (0.77) SCN4AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL22341331 0.79 SCN4A (0.55) SCN4AGABRPGABRDGABRA1GABRB1
SCHEMBL424289 0.79 RAB9A (0.58) SCN4AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL21590334 0.78 SCN4A (0.48) SCN4AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL22341260 0.78 SCN4A (0.61) SCN4AALPLALDH1A1SMN1; SMN2KDM4E
SCHEMBL18128031 0.78 KEAP1 (0.55) SCN4AALPLALDH1A1LMNASMN1; SMN2
SCHEMBL9040439 0.78 SCN9A (0.51) SCN4AGABRPGABRDGABRA1GABRB1

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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 — — 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 SCN4A 1085/4885GABRP 1603/4885GABRD 3864/4885

“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.

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