SCHEMBL4526944

SCHEMBL4526944

O=C(O)C1N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SLC18A3 Q16572 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TFPI2 P48307 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 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
SCHEMBL28067641 0.87 MAPT (0.44) NOTUMMAPTNPSR1SMN1; SMN2SLC18A3
SCHEMBL28782710 0.76 NOTUM (0.40) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5702158 0.75 NOTUM (0.49) NOTUMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5702089 0.75 NOTUM (0.49) NOTUMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9668731 0.74 MAPT (0.52) MAPTNPSR1SMN1; SMN2SLC18A3MAPK1
SCHEMBL23198268 0.74 AGTR2 (0.44) NOTUMMAPTNPSR1MAPK1HTT
SCHEMBL20141927 0.74 AGTR2 (0.44) NOTUMMAPTNPSR1MAPK1HTT
SCHEMBL20141914 0.74 AGTR2 (0.44) NOTUMMAPTNPSR1MAPK1HTT
SCHEMBL4799232 0.73 NOTUM (0.43) NOTUMMAPTSMN1; SMN2SLC18A3HTT
SCHEMBL4799227 0.73 NOTUM (0.43) NOTUMMAPTSMN1; SMN2SLC18A3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 CN disclosed
EP-2051955-B1 PRODUCTION OF ALPHA HYDROXY KETONES VIA CARBENE CATALYZED POLE REVERSAL REACTION OF ALDEHYDES EVONIK DEGUSSA GMBH (DE) 2016-08-31 EP disclosed
CN-102993072-A Method for producing methionine SUMITOMO CHEMICAL CO 2013-03-27 CN disclosed
US-7504542-B2 Preparation of α-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes EVONIK DEGUSSA GMBH (DE) 2009-03-17 US disclosed
US-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes DEGUSSA GMBH (DE) 2008-02-28 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 (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-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes HACL2, PCCA, ECI1 NOTUM 353/4885MAPT 4034/4885NPSR1 4529/4885

“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.