SCHEMBL17859475

SCHEMBL17859475

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
TNF P01375 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
DYRK1A Q13627 1/20 0.37
PKM P14618 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ILK Q13418 1/20 0.34

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
SCHEMBL17851275 0.86 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18644571 0.79 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17859465 0.77 NR1H4 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17859463 0.76 KMT2A (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21500655 0.76 IKBKB (0.43) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL24603623 0.75 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30626880 0.75 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12109875 0.74 HSD17B10 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2615996 0.74 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17859468 0.73 NR1H4 (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 3134/4885NPC1 95/4885SMN1; SMN2 4830/4885

“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.