SCHEMBL1180294

SCHEMBL1180294

O/N=C/c1c(Cl)cncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
GRK2 P25098 11/20 0.40
GRK5 P34947 2/20 0.36
GRK3 P35626 2/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ESR1 P03372 1/20 0.34
CA9 Q16790 1/20 0.34
ESR2 Q92731 1/20 0.34
ACHE P22303 2/20 0.34
LMNA P02545 1/20 0.34
NOX1 Q9Y5S8 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
SCHEMBL1180296 1.00 NPSR1 (0.43) NPSR1GRK2GRK5GRK3HTT
SCHEMBL19769023 0.81 GRK2 (0.32) NPSR1GRK2MAPTSMN1; SMN2LMNA
SCHEMBL20621290 0.81 GRK2 (0.32) NPSR1GRK2MAPTSMN1; SMN2LMNA
SCHEMBL22096814 0.81 HTT (0.40) NPSR1GRK2HTTMAPTSMN1; SMN2
SCHEMBL5282764 0.78 NPSR1 (0.44) NPSR1GRK2GRK5GRK3HTT
SCHEMBL19779864 0.76 GRK2 (0.33) GRK2HTTMAPT
SCHEMBL1920495 0.76 HTT (0.33) NPSR1HTTMAPTCDK5CDK5R1
SCHEMBL1920497 0.76 HTT (0.33) NPSR1HTTMAPTCDK5CDK5R1
SCHEMBL533867 0.73 SMN1; SMN2 (0.55) NPSR1HTTSMN1; SMN2CA12CA1
SCHEMBL2010954 0.73 SMN1; SMN2 (0.55) NPSR1HTTSMN1; SMN2CA12CA1

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260055094-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2026-02-26 US disclosed
US-12358903-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2025-07-15 US disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-20220242858-A1 FXR (NR1H4) MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2022-08-04 US disclosed
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 US disclosed
EP-3730487-B1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS GILEAD SCIENCES INC (US) 2022-04-27 EP disclosed
EP-3730487-B1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS GILEAD SCIENCES INC (US) 2022-04-27 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 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 (6 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-12358903-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 NPSR1 736/4885GRK2 86/4885GRK5 67/4885
US-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 NPSR1 3966/4885GRK2 4144/4885GRK5 3485/4885
US-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 NPSR1 373/4885GRK2 185/4885GRK5 111/4885
US-20220242858-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NPSR1 736/4885GRK2 86/4885GRK5 67/4885
US-20260055094-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NPSR1 477/4885GRK2 67/4885GRK5 78/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NPSR1 266/4885GRK2 174/4885GRK5 66/4885

“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.