SCHEMBL4402322

SCHEMBL4402322

NC(=NO)c1ccc2cn[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
DYRK1A Q13627 3/20 0.47
NOS1 P29475 3/20 0.47
METAP2 P50579 2/20 0.47
FGFR1 P11362 4/20 0.46
FGFR2 P21802 2/20 0.46
FGFR3 P22607 1/20 0.46
MAOB P27338 3/20 0.46
AR P10275 1/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44

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
SCHEMBL12652750 1.00 MAPT (0.51) MAPTKDM4EMEN1PKMHTT
SCHEMBL774795 0.87 ROCK2 (0.51) MAPTKDM4EMEN1KMT2ADYRK1A
SCHEMBL12601125 0.87 ROCK2 (0.51) MAPTKDM4EMEN1KMT2ADYRK1A
SCHEMBL774794 0.87 ROCK2 (0.51) MAPTKDM4EMEN1KMT2ADYRK1A
SCHEMBL475069 0.79 AR (0.63) MAPTKDM4EMEN1PKMHTT
SCHEMBL29887527 0.79 AR (0.63) MAPTKDM4EMEN1PKMHTT
SCHEMBL7362984 0.79 KDM4E (0.55) MAPTKDM4EMEN1PKMHTT
Hydrochloric Acid SCHEMBL31173861 0.78 AR (0.61) MAPTKDM4EMEN1PKMHTT
Hydrochloric Acid SCHEMBL6999702 0.78 AR (0.61) MAPTKDM4EMEN1PKMHTT
SCHEMBL12600632 0.75 L3MBTL1 (0.50) MAPTKDM4EMEN1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 MAPT 4318/4885KDM4E 4796/4885MEN1 176/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 MAPT 4318/4885KDM4E 4796/4885MEN1 176/4885

“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.