SCHEMBL4690573

SCHEMBL4690573

O=C(O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
MAPT P10636 3/20 0.79
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
MAPK1 P28482 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
MYOC Q99972 1/20 0.79
F13A1 P00488 1/20 0.59
FFAR1 O14842 1/20 0.59
SRD5A2 P31213 1/20 0.58
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MITF O75030 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL152811 0.89 KMT2A (0.74) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11390157 0.89 LMNA (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11004478 0.88 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11027238 0.86 MEN1 (0.88) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11832409 0.86 MEN1 (0.88) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11831801 0.85 MEN1 (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9367406 0.85 KMT2A (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5169615 0.85 FFAR1 (0.69) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5169625 0.85 FFAR1 (0.69) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17289271 0.84 KMT2A (0.67) MEN1KMT2AMAPTNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617706-B2 Compounds for cancer chemotherapeutic sensitization REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-04-14 US disclosed
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-08-08 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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 (2 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-10617706-B2 Compounds for cancer chemotherapeutic sensitization ABCC1, MCL1, ABCC3 MEN1 1096/4885KMT2A 1269/4885MAPT 4452/4885
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION ABCC1, MCL1, ABCC3 MEN1 1096/4885KMT2A 1269/4885MAPT 4452/4885

“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.