SCHEMBL2980868

SCHEMBL2980868

CCCCCCCCCCCCCCCCCCSc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5983793 1.00 PTGS2 (0.49) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL8519336 0.98 PTGS2 (0.48) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL8400694 0.93 AR (0.50) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL29601087 0.93 AR (0.50) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL6230783 0.86 AR (0.47) PTGS2TSHRKDM4EGAAAR
SCHEMBL9644566 0.86 MEN1 (0.44) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL7713273 0.86 MEN1 (0.44) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL28524164 0.86 MEN1 (0.44) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL27613330 0.84 MEN1 (0.42) PTGS2MEN1KMT2ATSHRKDM4E
SCHEMBL2552925 0.81 TSHR (0.50) PTGS2MEN1KMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530241-A Thioether substituted diphenyl pyrrolopyrrole diketone and preparation method and application thereof 山东凯瑞尔光电科技有限公司 2024-08-23 CN disclosed
EP-3810696-A2 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-04-28 EP disclosed
WO-2020002106-A2 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2020-01-02 WO disclosed
EP-1675916-B1 HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES BASF SE (DE) 2013-12-11 EP disclosed
US-7786313-B2 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORP. 2010-08-31 US disclosed
US-20080287689-A1 Heat-stable diketopyrrolopyrrole pigment mixtures WALLQUIST OLOF 2008-11-20 US disclosed
US-7417154-B2 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-08-26 US disclosed
US-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORP. 2007-02-08 US disclosed
EP-1675916-A1 HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES Ciba SC Holding AG (CH) 2006-07-05 EP disclosed
WO-2005040284-A1 HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-06 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 (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-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures NDUFS5, CBR3, CYB5R3 PTGS2 3448/4885MEN1 3068/4885KMT2A 3081/4885
US-20080287689-A1 Heat-stable diketopyrrolopyrrole pigment mixtures CBR3, NDUFS5, CYB5R3 PTGS2 3175/4885MEN1 3497/4885KMT2A 3305/4885

“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.