SCHEMBL12017847

SCHEMBL12017847

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ BLM P54132 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ FPR2 P25090 4/20 0.50
▸ TGM2 P21980 1/20 0.48
▸ CHRM1 P11229 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.41
▸ AVPR2 P30518 2/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC6A4 P31645 2/20 0.39
▸ NPY4R P50391 1/20 0.39
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL14078001 0.90 MEN1 (0.56) MEN1KMT2ABLMUSP2POLB
SCHEMBL12673518 0.88 MEN1 (0.59) MEN1KMT2ABLMUSP2POLB
SCHEMBL14078000 0.88 MEN1 (0.54) MEN1KMT2ABLMUSP2POLB
SCHEMBL10098708 0.88 MEN1 (0.54) MEN1KMT2ABLMUSP2POLB
SCHEMBL27105521 0.87 FPR2 (0.55) MEN1KMT2ABLMUSP2POLB
SCHEMBL12017845 0.87 MEN1 (0.53) MEN1KMT2ABLMUSP2POLB
SCHEMBL17663659 0.86 MEN1 (0.60) MEN1KMT2ABLMUSP2POLB
SCHEMBL29593395 0.85 MEN1 (0.61) MEN1KMT2ABLMUSP2POLB
Rhodamine B SCHEMBL10000882 0.85 MEN1 (0.61) MEN1KMT2ABLMUSP2POLB
SCHEMBL3903552 0.85 MEN1 (0.61) MEN1KMT2ABLMUSP2POLB

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-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-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 834/4885KMT2A 1348/4885BLM 2821/4885
US-20120220922-A1 PHOTOLABILE COMPOUNDS VIP, EPCAM, L1CAM MEN1 834/4885KMT2A 1348/4885BLM 2821/4885

“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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