SCHEMBL19040657

SCHEMBL19040657

CC/N=C(\N=C(/NC)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ATM Q13315 2/20 0.37
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL20306025 0.83 ATM (0.43) GLACACNA1BAPBA1ATMCES1
SCHEMBL16977092 0.81 GLA (0.41) GLACACNA1BAPBA1ATMCES1
SCHEMBL22134608 0.80 GLA (0.41) GLACACNA1BAPBA1ATMGAA
SCHEMBL20612832 0.80 GLA (0.41) GLACACNA1BAPBA1ATMGAA
SCHEMBL18868797 0.79 GLA (0.35) GLACACNA1BAPBA1ATMGAA
SCHEMBL25727587 0.77 KMT2A (0.39) ATMCES1CES2MAPTPOLB
SCHEMBL20821007 0.77 GLA (0.39) GLACACNA1BAPBA1ATMCES1
SCHEMBL20083134 0.77 KMT2A (0.43) GLACACNA1BAPBA1GAATDP1
SCHEMBL19789024 0.75 GLA (0.31) GLACACNA1BAPBA1
SCHEMBL19791317 0.75 GLA (0.37) GLACACNA1BAPBA1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057550-A1 ORGANIC COMPOUND AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-04-01 WO disclosed
US-20210036235-A1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-04 US disclosed
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 EP disclosed
US-10461258-B2 Compound IDEMITSU KOSAN CO., LTD. (JP) 2019-10-29 US disclosed
US-20170186968-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-06-29 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 (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-10461258-B2 Compound CYP19A1, CYP17A1, CYP51A1 GLA 1823/4885CACNA1B 2766/4885APBA1 623/4885
US-20210036235-A1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES TRMT1, TRMT1L, DNTT GLA 2716/4885CACNA1B 1710/4885APBA1 1886/4885
US-20170186968-A1 NOVEL COMPOUND SREBF1, BRIX1, SREBF2 GLA 3833/4885CACNA1B 3753/4885APBA1 653/4885

“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.