SCHEMBL7996823

SCHEMBL7996823

CNc1ccc([N+](=O)[O-])cc1NC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 8/20 0.55
HSD17B10 Q99714 3/20 0.55
RECQL P46063 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 3/20 0.50
HTT P42858 2/20 0.50
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 3/20 0.47
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL9216468 0.84 MAPT (0.60) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL30957522 0.84 MAPT (0.60) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11554160 0.84 MAPT (0.56) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL1131511 0.84 ALDH1A1 (0.62) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL365880 0.84 MAPT (0.60) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL30692252 0.84 TDP1 (0.58) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL2614942 0.84 TDP1 (0.58) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL5177187 0.84 ALDH1A1 (0.64) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL7703266 0.82 ALDH1A1 (0.56) MAPTALDH1A1HSD17B10RECQLMEN1
SCHEMBL11875548 0.82 MAPT (0.58) MAPTALDH1A1HSD17B10RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015183518-A1 SYNTHESIS OF AND CURING ADDITIVES FOR PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-12-03 WO disclosed
US-20150086551-A1 Novel Therapeutic Agents CRYSTAL BIOPHARMACEUTICAL LLC 2015-03-26 US disclosed
US-6280884-B1 HOLOGRAPHIC STORAGE IN PHOTOREFRACTIVE POLYMERIC OPTICAL ARTICLE, EXPOSURE TO ELECTROMAGNETIC RADIATION WITH INTERSECTING BEAMS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-28 US disclosed
US-5607799-A NONPHOTOCONDUCTIVE POLYMER, BENZIMIDAZOLINE, SENSITIZER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-03-04 US disclosed
US-5361148-A Apparatus for photorefractive two beam coupling INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-11-01 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-20150086551-A1 Novel Therapeutic Agents HDAC1, HDAC11, HDAC5 MAPT 4240/4885ALDH1A1 779/4885HSD17B10 1196/4885

“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.