SCHEMBL4769128

SCHEMBL4769128

FC(F)(F)c1ccc(-c2cc(CCl)ccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ TGFBR1 P36897 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.41
▸ TOP1 P11387 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ NR3C2 P08235 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCNB3 Q8WWL7 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
SCHEMBL30767604 0.84 HDAC1 (0.43) HDAC1KDM1ATGFBR1KIF11MAPKAPK2
SCHEMBL4768871 0.84 HDAC1 (0.49) HDAC1KDM1ATGFBR1KIF11MAPKAPK2
SCHEMBL3718582 0.84 LOXL2 (0.57) HDAC1KDM1ATGFBR1KIF11MAPKAPK2
SCHEMBL4117407 0.81 LOXL2 (0.43) TGFBR1MAPKAPK2LOXL2
SCHEMBL4128508 0.80 MAP4K4 (0.46) TGFBR1MAPKAPK2LOXL2
SCHEMBL27764812 0.79 KIF11 (0.52) HDAC1KDM1ATGFBR1KIF11MAPKAPK2
SCHEMBL2712689 0.79 PSEN1 (0.59) HDAC1KDM1ALOXL2NR3C2
SCHEMBL4775515 0.78 ASIC3 (0.50) LOXL2
SCHEMBL4772868 0.78 LOXL2 (0.43) HDAC1KDM1ATGFBR1LOXL2
SCHEMBL1040575 0.78 KIF11 (0.47) HDAC1KDM1ATGFBR1KIF11MAPKAPK2

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
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 — — EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 — — EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 — — US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 — — 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 HDAC1 504/4885KDM1A 2917/4885TGFBR1 3689/4885

“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.

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