SCHEMBL13265776

SCHEMBL13265776

Cc1cccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.60
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ 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
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL14537874 0.83 LMNA (0.64) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL13265940 0.79 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL13265850 0.78 SORT1 (0.60) SORT1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL13265779 0.77 MAPT (0.52) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL13265774 0.77 KMT2A (0.63) RAB9ANPC1ALDH1A1KMT2AMAPK1
SCHEMBL13265777 0.77 MAPT (0.54) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL13265772 0.76 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL13265682 0.76 KDR (0.66) RAB9AKMT2AMAPTNPSR1KDM4E
SCHEMBL13265855 0.76 MAPT (0.54) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL23825511 0.75 SORT1 (1.00) SORT1RAB9ANPC1ALDH1A1KMT2A

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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