SCHEMBL4240780

SCHEMBL4240780

O=C(N1CCOCC1)n1ccnn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 6/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL24937177 0.82 ALDH1A1 (0.44) MEN1TP53KMT2AALDH1A1HPGD
SCHEMBL3582040 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HSD17B10MAPTTSHR
SCHEMBL28323959 0.79 CYP1A2 (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31170520 0.78 CA2 (0.47) KMT2AHPGDCA12CA1CA9
SCHEMBL19078739 0.76 MEN1 (0.46) MEN1TP53KMT2AKDM4EALDH1A1
SCHEMBL5220449 0.75 MGLL (0.38) CA12CA1
SCHEMBL166053 0.75 FOLH1 (0.32)
SCHEMBL2899860 0.72 MEN1 (0.80) MEN1TP53KMT2ASMN1; SMN2AKR1C3
SCHEMBL24937774 0.72 AKR1C3 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL24937789 0.72 AKR1C3 (0.58) SMN1; SMN2KDM4EALDH1A1HPGDAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND THE UNIVERSITY OF TOKYO (JP) 2023-01-26 US disclosed
EP-2118077-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-11-18 EP disclosed
WO-2008097640-A2 TRIAZOLE COMPOUNDS THAT ARE USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS, SUCH AS CANCER SYNTA PHARMACEUTICALS CORP. (US) 2008-08-14 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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND UTS2R, TAS1R1, ULK3 MEN1 4204/4885TP53 3919/4885KMT2A 3299/4885

“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.