SCHEMBL17859474

SCHEMBL17859474

Cc1nc2c(F)cc(C(=O)NCCN3CCOCC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CD274 Q9NZQ7 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
HPGDS O60760 1/20 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
SCHEMBL17859468 0.76 NR1H4 (0.42) POLBALDH1A1TP53
SCHEMBL3281638 0.73 ALDH1A1 (0.67) POLBCD274ALDH1A1KDM4ETP53
SCHEMBL12124438 0.71 POLB (0.64) POLBCD274ALDH1A1KDM4ETP53
SCHEMBL280240 0.70 MEN1 (0.76) POLBCD274ALDH1A1KDM4ETSHR
SCHEMBL2615238 0.70 CD274 (0.92) POLBCD274ALDH1A1KDM4EHTR1A
SCHEMBL2615239 0.70 CD274 (0.92) POLBCD274ALDH1A1KDM4EHTR1A
SCHEMBL13632449 0.70 POLB (0.62) POLBCD274ALDH1A1KDM4ETP53
SCHEMBL9926499 0.70 ALDH1A1 (0.67) POLBCD274ALDH1A1KDM4ETP53
SCHEMBL14435528 0.69 POLB (1.00) POLBCD274ALDH1A1KDM4ETSHR
SCHEMBL17859465 0.69 NR1H4 (0.40) ALDH1A1

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
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 POLB 3984/4885CD274 3615/4885ALDH1A1 2674/4885

“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.