SCHEMBL22898321

SCHEMBL22898321

CCCC(C)(C)C(=O)c1cccnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL8828593 0.80 LMNA (0.61) SMN1; SMN2LMNATDP1POLBL3MBTL1
SCHEMBL24198699 0.79 TDP1 (0.40) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL6710903 0.78 LMNA (0.58) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL24198798 0.76 EGFR (0.41) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL28360960 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL18948157 0.75 P2RX7 (0.39) SMN1; SMN2LMNATDP1KMT2AALDH1A1
SCHEMBL8237046 0.74 SMN1; SMN2 (0.61) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL18387841 0.73 ALDH1A1 (0.50) SMN1; SMN2LMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL18648101 0.72 ERCC5 (0.42) SMN1; SMN2TDP1KMT2AALDH1A1HPGD
Heptane SCHEMBL28734342 0.72 SMN1; SMN2 (0.74) SMN1; SMN2LMNATDP1POLBL3MBTL1

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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT SMN1; SMN2 3356/4885LMNA 3838/4885TDP1 1393/4885

“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.