SCHEMBL21026142

SCHEMBL21026142

Cc1nc2ccc(C(C)(C)C)cc2n1CCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
RECQL P46063 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
P2RX7 Q99572 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
OPRK1 P41145 1/20 0.42
LMNA P02545 1/20 0.41
MC4R P32245 3/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 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
SCHEMBL21026154 0.82 LMNA (0.63) SIGMAR1ALDH1A1LMNATSHR
SCHEMBL17678058 0.82 P2RX7 (0.46) SIGMAR1ALDH1A1P2RX7OPRK1LMNA
SCHEMBL21026262 0.76 KDM4E (0.50) KDM4ERECQLSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL18731438 0.76 LMNA (0.53) KDM4EHRH3P2RX7OPRK1LMNA
SCHEMBL17678282 0.75 LMNA (0.40) HRH3P2RX7OPRK1LMNAMC4R
SCHEMBL18732121 0.74 LMNA (0.51) SIGMAR1P2RX7LMNA
SCHEMBL18731439 0.73 LMNA (0.61) KDM4EALDH1A1SMN1; SMN2P2RX7LMNA
SCHEMBL21026148 0.72 LMNA (0.49) KDM4ESIGMAR1ALDH1A1SMN1; SMN2P2RX7
SCHEMBL8279311 0.72 ESRRA (0.52) KDM4EALDH1A1LMNA
SCHEMBL21025767 0.72 LMNA (0.58) ALDH1A1P2RX7LMNA

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 KDM4E 3788/4885RECQL 1542/4885SIGMAR1 3139/4885

“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.