SCHEMBL18579507

SCHEMBL18579507

Fc1cccc(Cn2cnc(-c3ccccn3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.65
▸ CYP11B1 P15538 1/20 0.54
▸ CYP11B2 P19099 1/20 0.54
▸ KDM4A O75164 2/20 0.49
▸ KDM5B Q9UGL1 3/20 0.49
▸ KDM5A P29375 2/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP2E1 P05181 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL18579255 0.86 KDM5B (0.61) KDM4CCYP11B1CYP11B2KDM4AKDM5B
SCHEMBL24845216 0.79 CYP11B1 (0.58) KDM4CCYP11B1CYP11B2HPGDSNPC1
SCHEMBL16033705 0.79 KDM4C (1.00) KDM4CKDM4AKDM5BKDM5A
SCHEMBL18579809 0.77 KDM5B (0.65) KDM4CKDM4AKDM5BKDM5ANPC1
SCHEMBL25583831 0.77 CYP11B1 (0.55) KDM4CCYP11B1CYP11B2NPC1RAB9A
SCHEMBL2979521 0.77 CYP11B1 (0.55) KDM4CCYP11B1CYP11B2HPGDSNPC1
SCHEMBL24845219 0.77 CYP11B1 (0.55) KDM4CCYP11B1CYP11B2HPGDSNPC1
SCHEMBL18579569 0.75 KDM5B (0.62) KDM4CKDM4AKDM5BKDM5ANPC1
SCHEMBL21430203 0.74 PHF8 (0.58) KDM4CCYP11B1CYP11B2KDM4AKDM5B
SCHEMBL15957010 0.72 KDM4C (0.65) KDM4CCYP11B1CYP11B2KDM4AKDM5B

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 13/4885CYP11B1 1296/4885CYP11B2 1940/4885

“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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