SCHEMBL17839840

SCHEMBL17839840

Cn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.59
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2417482 0.86 IMPDH2 (0.59) IMPDH2SMN1; SMN2GAASLC6A4
SCHEMBL15298774 0.81 IMPDH2 (0.62) IMPDH2SMN1; SMN2
SCHEMBL2850331 0.79 IMPDH2 (0.59) IMPDH2
SCHEMBL10095347 0.79 SMN1; SMN2 (0.47) IMPDH2SMN1; SMN2GAA
SCHEMBL12531382 0.77 IMPDH2 (0.56) IMPDH2SMN1; SMN2
SCHEMBL21879353 0.76 IMPDH2 (0.42) IMPDH2GAANOS3NOS1NOS2
SCHEMBL3463638 0.74 MAPT (0.52) SMN1; SMN2GAA
SCHEMBL30686150 0.74 GSK3B (0.39)
SCHEMBL21816695 0.74 CYP19A1 (0.36) SLC6A4
SCHEMBL1778037 0.74 IMPDH2 (1.00) IMPDH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US 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
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
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 IMPDH2 2336/4885SMN1; SMN2 4830/4885GAA 1198/4885

“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.