SCHEMBL1628329

SCHEMBL1628329

CCCOc1ncnc(N2CCCC2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.38
APAF1 O14727 1/20 0.38
CASP3 P42574 1/20 0.38
CASP6 P55212 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HTT P42858 4/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
JAK3 P52333 2/20 0.36
ALOX15 P16050 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL1629504 0.98 ACACB (0.45) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10074122 0.98 ACACB (0.45) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10074499 0.87 ACACB (0.44) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10074502 0.86 ACACB (0.43) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10074500 0.86 ACACB (0.43) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL19725055 0.80 ACACB (0.48) ACACBALDH1A1MEN1KMT2A
SCHEMBL393595 0.80 ACACB (0.36) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL16190524 0.79 ACACB (0.49) ACACBMEN1KMT2A
SCHEMBL83873 0.79 LMNA (0.38) ACACBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL82724 0.79 LMNA (0.38) ACACBLMNAALDH1A1SMN1; SMN2KDM4E

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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 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 (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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885LMNA 4693/4885ALDH1A1 61/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885LMNA 4693/4885ALDH1A1 61/4885

“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.