SCHEMBL15853641

SCHEMBL15853641

O=C(O)c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.64
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
HIF1A Q16665 2/20 0.54
EPAS1 Q99814 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LTA4H P09960 1/20 0.49

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
SCHEMBL15853634 0.87 CYP17A1 (0.68) LSSKDM4EALDH1A1POLBHIF1A
SCHEMBL4579770 0.85 POLB (0.61) KDM4EALDH1A1POLBHIF1AEPAS1
SCHEMBL5632521 0.85 POLB (0.54) LSSKDM4EALDH1A1POLBHIF1A
SCHEMBL10074441 0.85 HDAC1 (0.62) KDM4EALDH1A1POLBHIF1AMEN1
SCHEMBL15853639 0.83 HIF1A (0.59) LSSKDM4EALDH1A1POLBHIF1A
SCHEMBL15853665 0.82 HIF1A (0.71) KDM4EALDH1A1POLBHIF1AEPAS1
SCHEMBL6134818 0.81 POLB (0.51) LSSKDM4EALDH1A1POLBMAPK1
SCHEMBL15853635 0.81 LSS (0.68) LSSKDM4EALDH1A1HRH3TSHR
SCHEMBL13974866 0.81 LSS (0.59) LSSKDM4EALDH1A1POLBHIF1A
SCHEMBL15853666 0.81 MMP13 (0.72) LSSALDH1A1HIF1AEPAS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 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-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR RORB, RORA, RORC LSS 860/4885KDM4E 2802/4885ALDH1A1 1704/4885

“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.