SCHEMBL19251036

SCHEMBL19251036

COCc1cccc(NC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
JAK1 P23458 1/20 0.36
MLNR O43193 1/20 0.35
SYK P43405 1/20 0.35
CARM1 Q86X55 1/20 0.35

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
SCHEMBL19240341 0.83 KDM4E (0.40) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL19251331 0.83 KDM4E (0.40) KDM4EKDM1AMAOBRCOR1ALDH1A1
Hydrochloric Acid SCHEMBL6602265 0.79 SMN1; SMN2 (0.51) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL20288232 0.79 KDM4E (0.40) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL15710125 0.78 MAPT (0.49) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL18901166 0.78 NOS1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPTROCK2
SCHEMBL3140637 0.77 APP (0.46) KDM1AMAOBRCOR1
SCHEMBL24506828 0.75 SMN1; SMN2 (0.57) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL21257469 0.75 SMN1; SMN2 (0.61) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL17115656 0.74 SMN1; SMN2 (0.44) KDM4EALDH1A1LMNASMN1; SMN2USP2

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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KDM4E 4395/4885KDM1A 3544/4885MAOB 3113/4885

“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.