SCHEMBL13265771

SCHEMBL13265771

CN(C)c1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ LMNA P02545 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ BAZ1A Q9NRL2 1/20 0.49
▸ MITF O75030 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13240478 0.85 MAPT (0.63) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265835 0.85 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265684 0.84 ALDH1A1 (0.61) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265774 0.83 KMT2A (0.63) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265855 0.81 MAPT (0.54) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265777 0.81 MAPT (0.54) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8855672 0.79 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265721 0.79 MEN1 (0.55) MAPTSMN1; SMN2RAB9ANPC1MCL1
SCHEMBL13265772 0.79 ALDH1A1 (0.62) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13265781 0.78 MAPT (0.65) MAPTSMN1; SMN2RAB9ANPC1LMNA

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 MAPT 2825/4885SMN1; SMN2 4378/4885RAB9A 3107/4885

“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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