SCHEMBL16628623

SCHEMBL16628623

C1=CSCS1.CC(C)Nc1ccccc1Nc1ccccc1.c1ncncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
RECQL P46063 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
ALOX12 P18054 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
KCNH3 Q9ULD8 7/20 0.42
CTSK P43235 1/20 0.35
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL29379826 0.80 ALDH1A1 (0.63) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL775014 0.80 ALDH1A1 (0.63) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL16628474 0.78 BCL6 (0.41) TDP1RECQLALDH1A1LMNACYP3A4
SCHEMBL9325233 0.71 BCL6 (0.49) ALDH1A1LMNACYP3A4ALOX15TSHR
SCHEMBL29748930 0.67 ALDH1A1 (0.66) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL2962223 0.67 TDP1 (0.57) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL10827659 0.65 TDP1 (0.52) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL444976 0.65 MAPT (0.70) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL29449707 0.64 ALDH1A1 (0.50) TDP1RECQLALDH1A1LMNAL3MBTL1
SCHEMBL3690060 0.64 ALDH1A1 (0.50) TDP1RECQLALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP 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 (3 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET TDP1 4407/4885RECQL 4750/4885ALDH1A1 963/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM TDP1 4397/4885RECQL 4288/4885ALDH1A1 841/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM TDP1 4397/4885RECQL 4288/4885ALDH1A1 841/4885

“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.