SCHEMBL19082501

SCHEMBL19082501

Brc1ccc2sc3cc4sc5ccc6ccccc6c5c4cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPM2A O95278 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
CYP2A6 P11509 2/20 0.39
NQO2 P16083 2/20 0.36
NQO1 P15559 1/20 0.36
GPR3 P46089 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL30960394 0.94 CYP2A6 (0.44) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL17383069 0.94 CYP2A6 (0.44) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL17275796 0.86 CYP2A6 (0.42) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL19082473 0.85 CYP2A6 (0.39) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL18666052 0.84 GPR3 (0.43) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL17382930 0.82 CYP2A6 (0.44) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL17228825 0.82 GPR3 (0.50) PTPN22CYP2A6NQO2NQO1GPR3
SCHEMBL17382703 0.82 ALDH1A1 (0.37) PTPN1CYP2A6NQO2NQO1GPR3
SCHEMBL17382943 0.82 ALDH1A1 (0.37) PTPN1CYP2A6NQO2NQO1GPR3
SCHEMBL17382945 0.80 CYP2A6 (0.39) EPM2APTPN2PTPN1PTPN22CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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 (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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 EPM2A 889/4885PTPN2 4766/4885PTPN1 4695/4885

“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.