SCHEMBL4167189

SCHEMBL4167189

O=C(NC1CC1)c1ccco1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
HPGD P15428 1/20 0.84
KMT2A Q03164 3/20 0.59
NPC1 O15118 1/20 0.59
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL6206231 0.92 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL14934861 0.92 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL6206225 0.92 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL8062381 0.91 ALDH1A1 (1.00) ALDH1A1HPGDNPC1TSHRNPSR1
SCHEMBL1844542 0.89 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1TSHR
SCHEMBL28404651 0.89 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1TSHR
SCHEMBL28407968 0.87 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL28414245 0.87 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL28409709 0.85 ALDH1A1 (0.63) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL28409708 0.85 ALDH1A1 (0.63) ALDH1A1HPGDKMT2ANPC1LMNA

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
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
CN-1136198-C Novel benzyl pyrimidines ��������ҩ�ɷ����޹�˾ 2004-01-28 CN disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
CN-1166831-A Novel benzyl pyrimidines HOFFMANN LA ROCHE (CH) 1997-12-03 CN disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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 (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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 ALDH1A1 2269/4885HPGD 2246/4885KMT2A 1642/4885

“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.