SCHEMBL13265899

SCHEMBL13265899

Nc1cccc(NC(=O)c2ccccc2Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ GFER P55789 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CTSV O60911 1/20 0.52
▸ CTSL P07711 1/20 0.52
▸ ABCG2 Q9UNQ0 3/20 0.51
▸ PTGS1 P23219 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC6 Q9UBN7 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
SCHEMBL13265902 0.88 MAPT (0.60) RXFP1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL13265903 0.83 RORC (0.62) RXFP1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL18050985 0.80 MEN1 (0.63) RXFP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13265842 0.80 ALDH1A1 (0.58) RXFP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13265784 0.80 FFAR1 (0.55) RXFP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14018737 0.79 MEN1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13265953 0.79 RAB9A (0.66) RXFP1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL14040938 0.78 HPGD (0.66) MEN1KMT2AGFERSMN1; SMN2ALDH1A1
SCHEMBL13265904 0.78 MAPT (0.57) RXFP1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL13265967 0.78 MEN1 (0.62) MEN1KMT2AGFERSMN1; SMN2ALDH1A1

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 RXFP1 4762/4885MEN1 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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