SCHEMBL13265842

SCHEMBL13265842

Nc1cccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 4/20 0.51
▸ PTGS1 P23219 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ POLA1 P09884 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL13265835 0.87 MAPT (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17103579 0.86 RAB9A (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265772 0.86 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265855 0.83 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265774 0.81 KMT2A (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265843 0.81 RORC (0.59) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL13240478 0.81 MAPT (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265690 0.80 CYP11B2 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13265899 0.80 RXFP1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14537694 0.79 SMN1; SMN2 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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 ALDH1A1 4359/4885MEN1 3658/4885KMT2A 1930/4885

“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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