SCHEMBL3630757

SCHEMBL3630757

C=CCC(=O)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
PARP10 Q53GL7 1/20 0.38
THRA P10827 1/20 0.38

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
SCHEMBL27800538 0.83 KDM4E (0.47) TSHRALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL12535895 0.81 LMNA (0.42) TSHRLMNACYP3A4CYP1A2MAOA
SCHEMBL1806027 0.81 ALDH5A1 (0.59) ALDH1A1LMNAKDM4EMAPTPKM
SCHEMBL3412166 0.79 GSK3B (0.57) LMNAKMT2ARAB9ANPC1CYP2C19
SCHEMBL14388863 0.79 GSK3B (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8519584 0.79 NPC1 (0.55) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL3415923 0.79 GSK3B (0.57) TSHRALDH1A1LMNACYP3A4CYP1A2
SCHEMBL367640 0.78 AKT1 (0.58) TSHRALDH1A1LMNACYP3A4CYP1A2
SCHEMBL7112617 0.77 PBRM1 (0.50) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL10457452 0.77 MASP2 (0.38) LMNACYP3A4CYP1A2MAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4751304-A Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-14 US claimed
EP-0177256-A2 Process for preparing 5,6-dialkoxy-4-alkyl-2(1h)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1986-04-09 EP claimed
JP-6092912-A None JP disclosed
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 US disclosed
JP-H0692912-A PRODUCTION OF DIAMINES MITSUI TOATSU CHEM INC 1994-04-05 JP 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 (1 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 TSHR 2185/4885ALDH1A1 170/4885LMNA 2594/4885

“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.