SCHEMBL19001027

SCHEMBL19001027

CC(C)(C)c1ccc(N2CCN(c3nsc4ccccc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
OPRM1 P35372 1/20 0.47
SORD Q00796 2/20 0.47

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
SCHEMBL19012643 0.85 KDM4E (0.58) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL11637734 0.84 KDM4E (0.65) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL19012760 0.81 KDM4E (0.55) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL8145185 0.80 KDM4E (0.60) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL6884485 0.78 KDM4E (0.65) KDM4EMAPTDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL8401502 0.77 KDM4E (0.68) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL24045832 0.77 KDM4E (0.56) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL4558892 0.76 KDM4E (0.71) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL20428029 0.75 KDM4E (0.65) KDM4EMAPTDRD2DRD3HTR1A
SCHEMBL13591224 0.75 KDM4E (0.65) KDM4EMAPTDRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KDM4E 415/4885MAPT 4195/4885DRD2 3066/4885

“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.