SCHEMBL21800136

SCHEMBL21800136

O=C(CCc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.52
CRHR2 Q13324 3/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL21800147 0.85 CRHBP (0.55) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL8781741 0.81 TRPM8 (0.51) TRPM8ALDH1A1MEN1KMT2AMAPT
SCHEMBL21800130 0.81 CRHBP (0.51) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL7339073 0.79 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL350869 0.77 TSHR (0.63) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL522192 0.77 ALDH1A1 (0.64) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL1435066 0.77 CRHBP (0.56) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL21247872 0.76 ALDH1A1 (0.67) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL7999122 0.76 TSHR (0.66) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL6956941 0.75 KMT2A (0.56) CRHBPCRHR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590919-B1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2024-04-24 EP disclosed
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 US disclosed
US-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-03-19 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 (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-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF ENY2, AHR, PAH CRHBP 2424/4885CRHR2 844/4885TRPM8 2157/4885
US-11773052-B2 Enamine compound and use thereof ENY2, AHR, PAH CRHBP 2424/4885CRHR2 844/4885TRPM8 2157/4885

“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.