SCHEMBL21976554

SCHEMBL21976554

c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.47
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL18193947 0.94 APP (0.55) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18382266 0.94 APP (0.51) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18382281 0.94 APP (0.51) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18382282 0.92 APP (0.49) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18382287 0.90 APP (0.55) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL16596776 0.89 APP (0.44) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL8994693 0.89 APP (0.43) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15591234 0.88 APP (0.49) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL8994780 0.88 APP (0.49) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18382283 0.88 APP (0.47) APPHSD17B1HSD17B2CYP3A4CYP2C9

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
CN-110518451-B Temperature-controlled aggregation laser, preparation method and optical switch application 华南理工大学 2020-06-02 CN claimed
US-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-12-16 US disclosed
CN-110518451-B Temperature-controlled aggregation laser, preparation method and optical switch application 华南理工大学 2020-06-02 CN disclosed
WO-2020085396-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION 国立大学法人北海道大学 2020-04-30 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-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION MCCC2, CTRC, DDC APP 3167/4885HSD17B1 597/4885HSD17B2 318/4885

“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.