SCHEMBL14758397

SCHEMBL14758397

COc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.76
NPC1 O15118 1/20 0.73
ALOX15 P16050 1/20 0.73
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MEN1 O00255 1/20 0.62
LMNA P02545 6/20 0.61
ABL1 P00519 1/20 0.61
TP53 P04637 1/20 0.61
RIN1 Q13671 1/20 0.61
MAPT P10636 3/20 0.58
CCKAR P32238 2/20 0.56
RAB9A P51151 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.54

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
SCHEMBL14758418 0.94 TSHR (0.82) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL16217071 0.90 TSHR (0.71) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL14758353 0.88 TSHR (0.65) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL16217105 0.84 TSHR (1.00) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL15910919 0.83 TSHR (0.64) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL4430143 0.81 TSHR (0.69) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL613557 0.81 AVPR1A (0.64) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL16217069 0.81 TSHR (0.65) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL4282465 0.81 KDM4E (0.59) TSHRNPC1ALOX15ALDH1A1KMT2A
SCHEMBL27725392 0.80 ALOX15 (0.69) TSHRNPC1ALOX15ALDH1A1KMT2A

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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO 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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 TSHR 4745/4885NPC1 57/4885ALOX15 1534/4885

“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.