SCHEMBL13265960

SCHEMBL13265960

Cc1cc(NC(=O)c2ccccc2Nc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ GLA P06280 1/20 0.55
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ GFER P55789 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ ABCG2 Q9UNQ0 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ JAK2 O60674 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
SCHEMBL13265974 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265896 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265940 0.80 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265903 0.75 RORC (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1GFER
SCHEMBL13265902 0.75 MAPT (0.60) SMN1; SMN2ALDH1A1KMT2AMEN1GFER
SCHEMBL13265979 0.74 KMT2A (0.67) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL13265967 0.74 MEN1 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1GFER
SCHEMBL13265899 0.73 RXFP1 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1GFER
SCHEMBL13265953 0.73 RAB9A (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1GFER
SCHEMBL13265904 0.72 MAPT (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1GFER

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 SMN1; SMN2 4378/4885ALDH1A1 4359/4885GLA 4106/4885

“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.

Send feedback