SCHEMBL13437129

SCHEMBL13437129

Cc1ccc2c(c1)NC(=O)c1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
POLB P06746 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CAPN9 O14815 1/20 0.54
CASP3 P42574 1/20 0.54
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.42
GSK3B P49841 2/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL2113066 0.91 ALDH1A1 (0.56) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL15679897 0.87 ALDH1A1 (0.46) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL13997687 0.84 ROS1 (0.51) MAPTPOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL4887657 0.84 MAPT (0.80) MAPTPOLBMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL23835580 0.83 MAPT (0.78) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL30181459 0.83 MAPT (0.78) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL17988262 0.78 ALDH1A1 (0.46) MAPTPOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL25666641 0.78 TGM2 (0.49) MAPTPOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL9270079 0.77 CSNK1G1 (0.56) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL7657453 0.76 MAPT (0.51) MAPTPOLBMEN1KMT2AALDH1A1

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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 MAPT 3367/4885POLB 17/4885MEN1 2792/4885

“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.