SCHEMBL13265850

SCHEMBL13265850

Cc1cccc(NC(=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.60
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ GRM5 P41594 1/20 0.55
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL13265844 0.83 KMT2A (0.64) RAB9ANPC1KDM4EKMT2AALDH1A1
SCHEMBL13265896 0.79 SMN1; SMN2 (0.54) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL13265776 0.78 SORT1 (0.60) SORT1RAB9ANPC1KDM4EKMT2A
SCHEMBL13265845 0.77 SMN1; SMN2 (0.52) RAB9ANPC1KMT2AALDH1A1MAPK1
SCHEMBL13265962 0.77 MEN1 (0.75) RAB9ANPC1KMT2AALDH1A1MAPK1
SCHEMBL13265790 0.77 MAPT (0.56) RAB9AKMT2AALDH1A1MAPTRXFP1
SCHEMBL13265859 0.77 KMT2A (0.63) RAB9ANPC1KMT2AALDH1A1MAPK1
SCHEMBL13265957 0.77 RAB9A (0.73) RAB9AKDM4EKMT2AALDH1A1MAPK1
SCHEMBL13265788 0.76 FFAR1 (0.59) RAB9AKMT2AALDH1A1MAPK1MAPT
SCHEMBL13265961 0.76 MAPT (0.54) RAB9ANPC1KMT2AALDH1A1MAPK1

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 SORT1 4489/4885RAB9A 3107/4885NPC1 1950/4885

“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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