SCHEMBL5888585

SCHEMBL5888585

C[C@H](N)c1cccc(-n2cccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ NOTUM Q6P988 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ NLRP3 Q96P20 2/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ SOS1 Q07889 1/20 0.37
▸ KAT6A Q92794 1/20 0.37

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
SCHEMBL29337465 1.00 LMNA (0.45) LMNANOTUMIDH1ERCC1ERCC4
SCHEMBL9888714 0.87 RXRA (0.47) LMNANOTUMIDH1ERCC1ERCC4
SCHEMBL19732418 0.84 NOTUM (0.42) LMNANOTUMIDH1ERCC1ERCC4
SCHEMBL18793689 0.84 NOTUM (0.42) LMNANOTUMIDH1ERCC1ERCC4
SCHEMBL8215541 0.81 NOTUM (0.55) NOTUMKDM5BLRRK2POLBKDM4E
SCHEMBL5567481 0.81 NOTUM (0.55) NOTUMKDM5BLRRK2POLBKDM4E
SCHEMBL25611001 0.81 MAPT (0.43) LMNANOTUMIDH1ERCC1ERCC4
SCHEMBL5934873 0.78 NOTUM (0.57) LMNANOTUMERCC1ERCC4KDM4E
SCHEMBL21583900 0.78 LMNA (0.56) LMNAERCC1ERCC4POLBMPO
SCHEMBL5330796 0.77 CYP2A6 (0.47) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 LMNA 1313/4885NOTUM 3749/4885IDH1 985/4885

“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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