SCHEMBL18579666

SCHEMBL18579666

CC(Cc1ccccc1)n1cnc(-c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 6/20 0.67
▸ KDM5A P29375 5/20 0.67
▸ KDM5B Q9UGL1 4/20 0.67
▸ PHF8 Q9UPP1 2/20 0.61
▸ KDM2B Q8NHM5 1/20 0.61
▸ KDM4A O75164 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CCR1 P32246 2/20 0.40
▸ CCR5 P51681 2/20 0.40
▸ CCR8 P51685 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ DOHH Q9BU89 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL16034040 0.81 KDM4C (1.00) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL16034277 0.78 KDM5B (0.65) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL24244255 0.77 PHF8 (0.66) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL17604583 0.76 PHF8 (0.68) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL30268901 0.72 KDM5A (0.62) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL30268929 0.72 KDM5A (0.52) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL17931637 0.72 KDM5A (0.62) KDM4CKDM5AKDM5BPHF8KDM2B
SCHEMBL27862767 0.69 CYP19A1 (0.60) KDM4ECYP1A2POLBCYP2D6MAPT
Hydrochloric Acid SCHEMBL28794239 0.68 CYP19A1 (0.59) KDM4ECYP1A2POLBCYP2D6MAPT
SCHEMBL12075252 0.68 KDM4E (0.56) KDM4CKDM5AKDM5BPHF8KDM2B

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 KDM4C 13/4885KDM5A 8/4885KDM5B 10/4885

“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.

Send feedback