SCHEMBL3025807

SCHEMBL3025807

O=C(c1ccc(Cl)cc1)c1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
DGAT1 O75907 1/20 0.54
SRD5A2 P31213 2/20 0.45
NR4A1 P22736 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4214280 0.86 DGAT1 (0.58) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL3467995 0.85 DGAT1 (0.56) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL1128877 0.83 MAPT (0.62) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL4464312 0.82 DGAT1 (0.70) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL4743106 0.81 MAPK1 (0.58) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL1247945 0.80 NR4A1 (0.62) ALDH1A1SMN1; SMN2SRD5A2NR4A1MAPT
SCHEMBL29872309 0.80 NR4A1 (0.62) ALDH1A1SMN1; SMN2SRD5A2NR4A1MAPT
SCHEMBL1822194 0.80 NR4A1 (0.62) ALDH1A1SMN1; SMN2SRD5A2NR4A1MAPT
SCHEMBL10112157 0.80 LMNA (0.58) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL3468655 0.80 KMT2A (0.63) KMT2AALDH1A1NPC1RAB9ALMNA

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
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 KMT2A 26/4885ALDH1A1 4220/4885NPC1 3338/4885

“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.