SCHEMBL5660604

SCHEMBL5660604

O=C(NCc1ccccc1)Nc1ccc2ncccc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.79
NPC1 O15118 3/20 0.70
MEN1 O00255 1/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
KMT2A Q03164 1/20 0.70
IMPDH2 P12268 1/20 0.62
PABPC1 P11940 1/20 0.62
KDR P35968 1/20 0.59
ROCK2 O75116 3/20 0.58
ROCK1 Q13464 2/20 0.58
RAB9A P51151 3/20 0.56
PTPN7 P35236 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC6 Q9UBN7 1/20 0.54
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL164368 0.89 NAMPT (1.00) NAMPTNPC1MEN1POLBMAPT
SCHEMBL31054244 0.88 NPC1 (0.67) NAMPTNPC1MEN1POLBMAPT
SCHEMBL31054241 0.85 KMT2A (0.64) NAMPTNPC1MEN1POLBMAPT
SCHEMBL31054279 0.85 NAMPT (0.63) NAMPTNPC1MEN1POLBMAPT
SCHEMBL17898130 0.84 NPC1 (0.74) NAMPTNPC1MEN1POLBMAPT
SCHEMBL29432908 0.84 KDR (0.60) NAMPTNPC1MEN1POLBMAPT
SCHEMBL5658310 0.84 NPC1 (0.88) NAMPTNPC1MEN1POLBMAPT
SCHEMBL651929 0.83 NPC1 (1.00) NAMPTNPC1MEN1POLBMAPT
SCHEMBL31054249 0.83 NPC1 (1.00) NAMPTNPC1MEN1POLBMAPT
SCHEMBL14470506 0.82 IMPDH2 (0.73) NPC1MAPTIMPDH2ROCK2ROCK1

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
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-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
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

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 NAMPT 1466/4885NPC1 959/4885MEN1 4770/4885
US-20240277658-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NAMPT 222/4885NPC1 146/4885MEN1 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.