SCHEMBL7950155

SCHEMBL7950155

O=C(NCc1ccco1)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
HSD17B10 Q99714 5/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
ESR1 P03372 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 6/20 0.58
KDM4E B2RXH2 3/20 0.55
MAPK10 P53779 1/20 0.55
TP53 P04637 3/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK8 P45983 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL7940514 0.82 CA12 (0.61) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL34468953 0.76 HPGD (0.58) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL7950129 0.76 HPGD (0.54) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL7938107 0.73 CDC25B (0.46) ALDH1A1HPGDKDM4EMAPT
SCHEMBL4930433 0.73 MMP13 (0.62) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL4267432 0.73 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL13598053 0.72 MEN1 (0.70) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL7940516 0.72 DRD2 (0.63) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL29286759 0.71 HPGD (1.00) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL7947246 0.70 KDM4E (0.74) ALDH1A1HSD17B10MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 ALDH1A1 2480/4885HSD17B10 1666/4885MEN1 1362/4885

“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.