SCHEMBL6318324

SCHEMBL6318324

CCCCC(CC)CNC(=O)CC#N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.51
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CA2 P00918 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL16312317 0.83 TSHR (0.57) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL8600740 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL8515067 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL1165645 0.80 TSHR (0.53) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL14836356 0.80 TSHR (0.53) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL11663143 0.80 TSHR (0.53) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL362747 0.78 TSHR (0.52) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL1515649 0.78 TSHR (0.52) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL28673768 0.78 FAAH (0.53) TSHRALDH1A1CYP3A4HTTGLA
SCHEMBL12180618 0.78 TSHR (0.52) TSHRALDH1A1CYP3A4HTTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976103-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2018-05-22 US disclosed
EP-2513269-B1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2017-10-25 EP disclosed
US-9708563-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2017-07-18 US disclosed
US-20150267140-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2015-09-24 US disclosed
US-20130172221-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2013-07-04 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20120309657-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
US-4108630-A 1-Alkylpyrid-2-ones ROHM AND HAAS COMPANY (US) 1978-08-22 US disclosed
US-4038065-A 1-ALKYLPYRID-2-ONE ROHM AND HAAS COMPANY (US) 1977-07-26 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MCL1 584/4885TSHR 3971/4885ALDH1A1 4444/4885
US-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 MCL1 2719/4885TSHR 63/4885ALDH1A1 1604/4885

“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.