SCHEMBL3596907

SCHEMBL3596907

CCCOC(=O)Nc1c(C)cccc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.76
NLRP3 Q96P20 8/20 0.67
HPGD P15428 1/20 0.55
LMNA P02545 5/20 0.54
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.49
SCN3A Q9NY46 3/20 0.49
MEN1 O00255 2/20 0.49
SCN1A P35498 2/20 0.49
KMT2A Q03164 2/20 0.49
SCN2A Q99250 2/20 0.49
CYP3A4 P08684 1/20 0.49
MC4R P32245 1/20 0.49
SCN4A P35499 1/20 0.49
MC3R P41968 1/20 0.49
HTR3A P46098 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL1026418 0.91 MAPK1 (0.72) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL9356536 0.90 MAPK1 (0.63) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL28969409 0.88 MAPK1 (0.69) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL9359788 0.87 NLRP3 (0.78) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL1954916 0.82 LMNA (0.74) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL1024875 0.82 MAPK1 (0.61) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL10779722 0.81 MAPK1 (0.57) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL17856292 0.81 NPC1 (0.65) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL1023754 0.81 MAPK1 (0.60) MAPK1NLRP3HPGDLMNAALDH1A1
SCHEMBL3106554 0.80 MAPK1 (0.52) MAPK1NLRP3HPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079383-A With A Methylating Agent Using A Zinc Halide Catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-07 US claimed
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 WO disclosed
EP-0410684-B1 Method of condensing N-phenylcarbamates ENICHEM SINTESI (IT) 1994-11-30 EP disclosed
US-5079383-A With A Methylating Agent Using A Zinc Halide Catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-07 US disclosed
EP-0410684-A2 Method of condensing N-phenylcarbamates ENICHEM SYNTHESIS S.p.A. (IT) 1991-01-30 EP disclosed
EP-0110732-B1 PROCESS FOR PRODUCING DIPHENYLMETHANE DICARBAMATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-03-11 EP disclosed
EP-0123412-B1 METHOD FOR MANUFACTURE OF DIPHENYLMETHANE DIISOCYANATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 EP disclosed
US-4552974-A Process for producing diphenylmethane dicarbamates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-11-12 US disclosed
US-4547322-A Method for manufacture of diphenylmethane diisocyanates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-15 US disclosed
EP-0123412-A1 Method for manufacture of diphenylmethane diisocyanates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
EP-0110732-A2 Process for producing diphenylmethane dicarbamates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-06-13 EP 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 MAPK1 2784/4885NLRP3 3233/4885HPGD 3916/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 MAPK1 1940/4885NLRP3 4464/4885HPGD 2100/4885

“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.