SCHEMBL13265778

SCHEMBL13265778

O=C(Nc1nc2ccccc2o1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ SCD O00767 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL13265936 0.88 FBP1 (0.47) POLBLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL13265780 0.85 MAPT (0.49) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL23162789 0.78 ALDH1A1 (0.57) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL13265837 0.77 POLB (0.48) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL13265782 0.77 MMP13 (0.67) NPC1RAB9ASMN1; SMN2SCDMMP13
SCHEMBL13265774 0.76 KMT2A (0.63) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL14537874 0.75 LMNA (0.64) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL13265776 0.74 SORT1 (0.60) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL13265843 0.73 RORC (0.59) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL19819814 0.73 NPC1 (0.54) NPC1RAB9APOLBLMNASMN1; SMN2

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 NPC1 1950/4885RAB9A 3107/4885POLB 26/4885

“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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