SCHEMBL4772524

SCHEMBL4772524

OCc1ccnc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
ASIC3 Q9UHC3 1/20 0.50
PRKCI P41743 1/20 0.47
RECQL P46063 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
FYN P06241 4/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
FFAR1 O14842 1/20 0.43
NOTUM Q6P988 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
SMO Q99835 2/20 0.41
WNT3A P56704 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL995901 0.96 ASIC3 (0.53) LOXL2ASIC3PRKCIRECQLPDCD1
SCHEMBL27822958 0.82 ASIC3 (0.50) LOXL2ASIC3PDCD1CD274FFAR1
SCHEMBL4775515 0.82 ASIC3 (0.50) LOXL2ASIC3PDCD1CD274FFAR1
SCHEMBL14310545 0.82 LOXL2 (0.50) LOXL2ASIC3PRKCIRECQLKDM1A
SCHEMBL4492835 0.82 RECQL (0.47) LOXL2RECQLFYNHTR1A
SCHEMBL4772393 0.82 RECQL (0.56) LOXL2RECQLNOTUM
SCHEMBL4764104 0.82 RECQL (0.47) LOXL2RECQLPDCD1CD274KDM1A
SCHEMBL4768794 0.81 CYP1A2 (0.44) LOXL2RECQLTSHR
SCHEMBL27602559 0.81 LOXL2 (0.60) LOXL2PRKCIRECQLFYNKDM1A
SCHEMBL220148 0.81 NR4A2 (0.60) FYNTSHR

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
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
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 LOXL2 4426/4885ASIC3 446/4885PRKCI 4025/4885

“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.