SCHEMBL1630508

SCHEMBL1630508

CC1CCCC(C)N(c2cc(O)ncn2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
JAK3 P52333 3/20 0.32
MAP4K4 O95819 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NR1I2 O75469 4/20 0.32
SMARCA2 P51531 4/20 0.32
SMARCA4 P51532 4/20 0.32
PBRM1 Q86U86 4/20 0.32
NR1H2 P55055 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H3 Q13133 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL82388 0.82 MMP2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL82390 0.82 MMP2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL82389 0.82 MMP2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL82676 0.82 MMP2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL82677 0.82 MMP2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL10074248 0.78 ACACB (0.36) SMN1; SMN2MEN1ALDH1A1KMT2ALRRK2
SCHEMBL84196 0.73 ACACB (0.30)
SCHEMBL84197 0.73 ACACB (0.30)
SCHEMBL83888 0.73 ACACB (0.30)
SCHEMBL83890 0.73 ACACB (0.30)

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 1 patent. 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

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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH SMN1; SMN2 2172/4885MEN1 4322/4885ALDH1A1 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.