SCHEMBL19794359

SCHEMBL19794359

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.48
TOP1 P11387 2/20 0.43
ALDH1A3 P47895 1/20 0.43
ADORA1 P30542 2/20 0.43
SQOR Q9Y6N5 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTK2B Q14289 1/20 0.40
STAT1 P42224 1/20 0.40
ADORA2A P29274 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL19933730 0.90 LDHA (0.42) LDHATOP1ALDH1A3ADORA1CYP1A2
SCHEMBL18015476 0.90 LDHA (0.57) LDHAMAPTNPC1MEN1KMT2A
SCHEMBL23956296 0.89 LDHA (0.50) LDHASQORSTAT1MAPTNPC1
SCHEMBL18015685 0.88 TOP1 (0.47) TOP1ALDH1A3ADORA1SQORCYP1A2
SCHEMBL18015596 0.88 LDHA (0.53) LDHAADORA1SQORADORA2AMAPT
SCHEMBL19794446 0.88 LDHA (0.53) LDHAADORA1SQORADORA2AMAPT
SCHEMBL22699338 0.88 LDHA (0.53) LDHATOP1ALDH1A3ADORA1SQOR
SCHEMBL20068726 0.88 LDHA (0.43) LDHATOP1ALDH1A3ADORA1MAPT
SCHEMBL19833339 0.86 LDHA (0.40) LDHATOP1ALDH1A3ADORA1CYP1A2
SCHEMBL18015375 0.86 LDHA (0.54) LDHAMAPTNPC1MEN1KMT2A

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885TOP1 3588/4885ALDH1A3 2713/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885TOP1 3428/4885ALDH1A3 1709/4885

“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.