SCHEMBL17289271

SCHEMBL17289271

O=C(O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
POLB P06746 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
MITF O75030 1/20 0.60
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TGM2 P21980 1/20 0.57
MAPK1 P28482 3/20 0.56
NAMPT P43490 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MYOC Q99972 1/20 0.56
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52

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 0.94 KMT2A (0.74) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL6302417 0.87 MEN1 (0.89) KMT2AMEN1POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL11555611 0.84 KMT2A (0.61) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL4690573 0.84 MEN1 (0.79) KMT2AMEN1POLBNPC1RAB9A
Nitrobenzene SCHEMBL28122132 0.83 MEN1 (0.62) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL20914562 0.82 KMT2A (0.47) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL16367722 0.82 KMT2A (0.76) KMT2AMEN1POLBNPC1RAB9A
Bicarbonate SCHEMBL1562172 0.82 MAPK1 (0.68) KMT2AMEN1POLBMAPTALDH1A1
Bicarbonate SCHEMBL27200925 0.82 MAPK1 (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL28386018 0.82 SMN1; SMN2 (0.61) NPC1RAB9AMITFMAPTSMN1; SMN2

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-9399044-B2 Antimicrobial cationic polyamines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-07-26 US disclosed
US-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-03 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-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES ARG1, PARG, ARG2 KMT2A 1557/4885MEN1 314/4885POLB 270/4885

“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.