SCHEMBL12682610

SCHEMBL12682610

CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ GAA P10253 3/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ ATM Q13315 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.58
▸ LMNA P02545 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ TNFRSF1A P19438 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 3/20 0.42
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL11153579 0.82 MAPT (0.70) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11974227 0.74 MAPT (0.61) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12650290 0.73 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL23578895 0.72 ALDH1A1 (0.74) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL23578896 0.72 ALDH1A1 (0.74) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL2622681 0.71 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12261664 0.71 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL13904067 0.70 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10036033 0.67 MEN1 (0.87) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14589629 0.67 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1GAA

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-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 — — US disclosed
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-06 — — US disclosed
WO-2012125544-A2 NECROPTOSIS INHIBITORS AND METHODS OF USE THEREFOR PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-20 — — WO 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 (1 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-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor CD40, CD40LG, TNF MAPT 3289/4885MEN1 3527/4885KMT2A 4169/4885

“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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