SCHEMBL18579509

SCHEMBL18579509

c1ccc(-c2cn(CCN3CCCC3)cn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 3/20 0.62
▸ KDM4C Q9H3R0 6/20 0.56
▸ KDM4A O75164 1/20 0.56
▸ KDM5A P29375 4/20 0.50
▸ KDM5B Q9UGL1 4/20 0.50
▸ SIGMAR1 Q99720 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ METAP1 P53582 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41

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
SCHEMBL16034316 0.78 KDM5A (0.57) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL7101565 0.78 KDM4E (0.47) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL16034388 0.78 KDM2B (0.60) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL17710639 0.78 HRH3 (0.44) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL16033424 0.77 KDM2B (1.00) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL17710633 0.77 HRH3 (0.43) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL17710631 0.77 HRH3 (0.43) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL17710640 0.76 SCD5 (0.43) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL17710626 0.76 SCD5 (0.43) KDM2BKDM4CKDM4AKDM5AKDM5B
SCHEMBL18579661 0.75 KDM5A (0.60) KDM2BKDM4CKDM4AKDM5AKDM5B

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-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 — — 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-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM2B 19/4885KDM4C 13/4885KDM4A 12/4885

“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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