SCHEMBL3853855

SCHEMBL3853855

COCC(=O)Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAPT P10636 2/20 0.37
SCD O00767 1/20 0.37
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
GPR34 Q9UPC5 2/20 0.36
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL12703458 0.94 MAPT (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2CCNT1
SCHEMBL3853857 0.90 PIK3CA (0.40) NPC1RAB9ASMN1; SMN2SCDSENP5
SCHEMBL1593819 0.89 SENP5 (0.38) SMN1; SMN2MAPTSCDSENP5SENP2
SCHEMBL12703683 0.88 SENP5 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2CCNT1
SCHEMBL1593188 0.86 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2CCNT1
SCHEMBL13850915 0.84 GLO1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSENP5
SCHEMBL1593812 0.84 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTSCDSENP5
SCHEMBL3845832 0.83 LMNA (0.39) ALDH1A1SMN1; SMN2MAPTSENP5SENP2
SCHEMBL1593456 0.82 LMNA (0.44) ALDH1A1MAPTLMNAMAPK1CASP3
SCHEMBL13851408 0.82 NR4A2 (0.38) MAPTSENP5SENP2SENP1GPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
EP-1714966-A1 NAPHTHYLIDINE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-10-25 EP 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-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS ALDH1A1 2740/4885NPC1 1366/4885RAB9A 2264/4885

“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.