SCHEMBL5659795

SCHEMBL5659795

N#Cc1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
MAPT P10636 4/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
POLB P06746 3/20 0.76
NAMPT P43490 1/20 0.62
ALDH1A1 P00352 4/20 0.58
PABPC1 P11940 1/20 0.56
RAB9A P51151 8/20 0.53
EGLN1 Q9GZT9 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5 Q00535 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
NLRP3 Q96P20 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51

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 0.87 NPC1 (1.00) NPC1MAPTMEN1KMT2APOLB
SCHEMBL31054249 0.87 NPC1 (1.00) NPC1MAPTMEN1KMT2APOLB
SCHEMBL5658310 0.85 NPC1 (0.88) NPC1MAPTMEN1KMT2APOLB
SCHEMBL31235641 0.82 NPC1 (0.51) NPC1MAPTMEN1KMT2APOLB
SCHEMBL15940145 0.82 NPC1 (0.51) NPC1MAPTMEN1KMT2APOLB
SCHEMBL5655823 0.82 NPC1 (0.88) NPC1MAPTMEN1KMT2APOLB
SCHEMBL5661569 0.81 NPC1 (0.81) NPC1MAPTMEN1KMT2APOLB
SCHEMBL3410983 0.81 NPC1 (0.62) NPC1MAPTMEN1KMT2APOLB
SCHEMBL5658555 0.80 NPC1 (0.78) NPC1MAPTMEN1KMT2APOLB
SCHEMBL5657576 0.80 NPC1 (0.78) NPC1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 4195/4885MEN1 4770/4885
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 766/4885MEN1 3864/4885

“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.