SCHEMBL17899367

SCHEMBL17899367

NC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(N3CCC(OCCO)CC3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 3/20 0.43
CTPS1 P17812 1/20 0.43
HTR6 P50406 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHEK2 O96017 1/20 0.37

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
SCHEMBL21697492 0.84 PARP14 (0.39) MAPTGAAHTTCHEK2
SCHEMBL17888639 0.83 PARP14 (0.38) MAPTCHEK2
SCHEMBL23190760 0.83 MAPT (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17899403 0.81 PARP14 (0.37) MAPTCHEK2
SCHEMBL17888520 0.81 GPR119 (0.40) MAPTKDM4ECHEK2
SCHEMBL17899402 0.77 KDM4E (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL21697445 0.73 PARP14 (0.36) MAPTALDH1A1HTTKDM4ECHEK2
SCHEMBL17888562 0.73 PARP14 (0.35) MAPTKDM4ECHEK2
SCHEMBL17888624 0.73 MAPT (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17888565 0.72 LIPG (0.39) MAPTKDM4ECHEK2

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-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI MAPT 90/4885ALDH1A1 2733/4885GAA 309/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A MAPT 3849/4885ALDH1A1 3115/4885GAA 3478/4885

“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.