SCHEMBL12017845

SCHEMBL12017845

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCC#N)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ FPR2 P25090 4/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ CHRM1 P11229 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ AVPR2 P30518 4/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ NPY4R P50391 3/20 0.42
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL13033321 0.91 MEN1 (0.56) MEN1USP2POLBPPARGBLM
SCHEMBL17348121 0.90 TGM2 (0.55) MEN1USP2POLBPPARGBLM
SCHEMBL10000831 0.88 P2RY6 (0.56) MEN1USP2POLBPPARGBLM
SCHEMBL25698360 0.88 TGM2 (0.57) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL21112986 0.87 P2RY6 (0.56) MEN1USP2POLBPPARGBLM
SCHEMBL18760518 0.87 FPR2 (0.56) MEN1USP2POLBPPARGBLM
SCHEMBL12118351 0.87 MEN1 (0.59) MEN1USP2POLBPPARGBLM
SCHEMBL12017847 0.87 MEN1 (0.53) MEN1USP2POLBPPARGBLM
SCHEMBL14300324 0.86 MEN1 (0.54) MEN1USP2POLBPPARGBLM
SCHEMBL18760308 0.86 USP2 (0.54) MEN1USP2POLBPPARGBLM

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
US-9744236-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-29 — — US disclosed
US-20150032045-A1 PHOTOLABILE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 — — US disclosed
US-20120220922-A1 PHOTOLABILE COMPOUNDS UNIVERSIDAD DE BUENOS AIRES (AR) 2012-08-30 — — 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-20150032045-A1 PHOTOLABILE COMPOUNDS VIP, EPCAM, L1CAM MEN1 834/4885USP2 3560/4885POLB 1554/4885
US-20120220922-A1 PHOTOLABILE COMPOUNDS VIP, EPCAM, L1CAM MEN1 834/4885USP2 3560/4885POLB 1554/4885

“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.

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