SCHEMBL5658310

SCHEMBL5658310

O=C(Nc1ccccc1)Nc1ccc2ncccc2c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.88
MAPT P10636 5/20 0.88
POLB P06746 3/20 0.88
MEN1 O00255 2/20 0.88
KMT2A Q03164 2/20 0.88
NAMPT P43490 2/20 0.78
PABPC1 P11940 1/20 0.72
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 1/20 0.57
IMPDH2 P12268 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
CDK5 Q00535 1/20 0.57
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL651929 0.94 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL31054249 0.94 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5661569 0.93 NPC1 (0.81) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5655823 0.91 NPC1 (0.88) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5656486 0.89 NPC1 (0.74) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL164852 0.88 NAMPT (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL28741230 0.87 NPC1 (0.81) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL29639124 0.87 NPC1 (0.81) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5657576 0.86 NPC1 (0.78) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5658555 0.86 NPC1 (0.78) NPC1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 EP claimed
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2024-08-22 US claimed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP claimed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO claimed
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 EP disclosed
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2024-08-22 US disclosed
WO-2022079246-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2022-04-21 WO disclosed
EP-3984535-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME Albert-Ludwigs-Universität Freiburg (DE) 2022-04-20 EP disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP disclosed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 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 (2 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 NPC1 959/4885MAPT 4195/4885POLB 3281/4885
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NPC1 146/4885MAPT 766/4885POLB 4069/4885

“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.