SCHEMBL19082495

SCHEMBL19082495

Fc1ccc(Br)cc1-c1cc(-c2c(F)ccc3ccccc23)c(S)cc1S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 2/20 0.37
CYP2A6 P11509 1/20 0.35
HPRT1 P00492 1/20 0.34
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
PTGES O14684 3/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP1A1 P04798 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP1B1 Q16678 3/20 0.31
AHR P35869 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL19082477 0.85 NMUR2 (0.38) NMUR2CYP2A6HPRT1PTGESHSP90AA1
SCHEMBL19082490 0.82 NMUR2 (0.43) NMUR2CYP2A6HPRT1PTGESHSP90AA1
SCHEMBL19082466 0.80 NMUR2 (0.38) NMUR2CYP2A6HPRT1TP53THRB
SCHEMBL19082471 0.80 NMUR2 (0.46) NMUR2CYP2A6HPRT1PTGESHSP90AA1
SCHEMBL19091610 0.78 NMUR2 (0.35) NMUR2CYP2A6HPRT1TP53THRB
SCHEMBL19091030 0.78 MAPT (0.44) NMUR2HSP90AA1HSP90AB1NPC1HTT
SCHEMBL19091475 0.76 NMUR2 (0.38) NMUR2CYP2A6HPRT1TP53THRB
SCHEMBL19091609 0.76 MAPT (0.39) NMUR2CYP2A6HPRT1PTGESNPC1
SCHEMBL19082499 0.76 NMUR2 (0.34) NMUR2CYP2A6HPRT1TP53THRB
SCHEMBL19082492 0.75 MAPT (0.41) NMUR2TP53THRBPTGESNPC1

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 NMUR2 2800/4885CYP2A6 2198/4885HPRT1 517/4885

“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.