SCHEMBL19138010

SCHEMBL19138010

Nc1nccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
MAP4K4 O95819 1/20 0.45
FOLH1 Q04609 1/20 0.45
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GSK3B P49841 2/20 0.41
CHEK2 O96017 1/20 0.41
KDR P35968 2/20 0.40
ATR Q13535 1/20 0.39
BCAT2 O15382 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
USP7 Q93009 1/20 0.38
PRKCI P41743 1/20 0.38
TDO2 P48775 1/20 0.38
GABRP O00591 1/20 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
SCHEMBL368307 0.97 MAP4K4 (0.50) NAPRTMAP4K4FOLH1MKNK1MKNK2
SCHEMBL14917462 0.88 MKNK1 (0.49) NAPRTMAP4K4MKNK1MKNK2GSK3B
SCHEMBL11821346 0.83 KMO (0.51) MAP4K4MKNK2GSK3BKDRATR
SCHEMBL2001892 0.80 KDM4E (0.50) NAPRTMAP4K4FOLH1KDRKDM4A
SCHEMBL7548771 0.80 BCAT2 (0.46) NAPRTMAP4K4FOLH1MKNK1MKNK2
SCHEMBL23791802 0.79 RAB9A (0.56) KDM4E
SCHEMBL10900359 0.79 FOLH1 (0.41) NAPRTMAP4K4FOLH1KDRKDM4A
SCHEMBL2224497 0.79 SMN1; SMN2 (0.46) MAP4K4FOLH1KDRKDM4AKDM5A
SCHEMBL5532390 0.79 TACR1 (0.51) FOLH1MKNK1MKNK2KDM5AKDM4C
SCHEMBL20609253 0.78 DHFR (0.39) NAPRTMKNK1MKNK2ATR

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-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES NAPRT 108/4885MAP4K4 1715/4885FOLH1 424/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES NAPRT 108/4885MAP4K4 1715/4885FOLH1 424/4885

“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.