SCHEMBL12418384

SCHEMBL12418384

C=C(C)Sc1cccnc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYC P01106 1/20 0.44
CYP1A2 P05177 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL1403609 0.79 L3MBTL1 (0.67) KDM4EALDH1A1L3MBTL1MAPTALOX15
Hydrochloric Acid SCHEMBL10515336 0.77 L3MBTL1 (0.65) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL3073197 0.75 KDM4E (0.50) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL14676586 0.75 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL298750 0.72 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL14890349 0.71 KDM4E (0.62) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL18784165 0.71 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL6567898 0.71 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL12378232 0.70 KDM4E (0.49) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL19491230 0.70 L3MBTL1 (0.41) KDM4EALDH1A1L3MBTL1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS KDM4E 1971/4885ALDH1A1 2040/4885L3MBTL1 220/4885

“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.