SCHEMBL19977428

SCHEMBL19977428

Clc1nccnc1Oc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
KDR P35968 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
MAOB P27338 7/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM4 Q14833 1/20 0.39
NOS1 P29475 1/20 0.37
HMOX2 P30519 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11373704 0.83 EGFR (0.47) EGFRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4320563 0.83 RAB9A (0.51) MAOBHTTRAB9AL3MBTL1GRM4
SCHEMBL11375355 0.81 MAOB (0.43) MAOBHTTL3MBTL1ALDH1A1CYP1A2
SCHEMBL11380123 0.80 RAB9A (0.50) EGFRMAOBHTTRAB9AALDH1A1
SCHEMBL11217950 0.78 ALDH1A1 (0.45) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL11384415 0.76 P2RY1 (0.52) ABCG2RAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL11379468 0.76 CYP19A1 (0.43) EGFRRAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL6136728 0.75 EGFR (0.52) EGFRKDRABCG2MAOBHTT
SCHEMBL11375553 0.75 LTA4H (0.46) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL28031645 0.75 EGFR (0.46) EGFRKDRABCG2MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083200-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-22 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-20180083200-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNA1, ARL1 EGFR 3677/4885KDR 3015/4885ABCG2 4559/4885

“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.