SCHEMBL22599461

SCHEMBL22599461

CCOC(=O)c1c(CCl)c(C)nn1CC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPK1 P28482 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 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
SCHEMBL29127378 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HTTKMT2AMAPK1POLB
SCHEMBL8539111 0.83 ALDH1A1 (0.42) SMN1; SMN2KMT2AMAPK1POLBALDH1A1
SCHEMBL22582787 0.81 KMT2A (0.53) SMN1; SMN2HTTKMT2AMAPK1POLB
SCHEMBL19451738 0.80 KMT2A (0.46) SMN1; SMN2HTTKMT2AMAPK1POLB
SCHEMBL23116080 0.78 KMT2A (0.44) SMN1; SMN2HTTKMT2AMAPK1POLB
SCHEMBL19436510 0.78 KMT2A (0.44) SMN1; SMN2HTTKMT2AMAPK1POLB
SCHEMBL29031589 0.78 ALDH1A1 (0.46) SMN1; SMN2HTTKMT2AMAPK1ALDH1A1
SCHEMBL22599563 0.73 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL28432522 0.73 ALDH1A1 (0.57) SMN1; SMN2HTTKMT2APOLBALDH1A1
SCHEMBL20944539 0.72 KMT2A (0.44) SMN1; SMN2HTTKMT2AMAPK1ALDH1A1

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-20200339515-A1 PYRAZOLE DERIVATIVE Sinochem Lantian Co., Ltd. (CN) 2020-10-29 — — 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-20200339515-A1 PYRAZOLE DERIVATIVE SPOUT1, STK39, GPX1 SMN1; SMN2 2084/4885HTT 3839/4885KMT2A 3381/4885

“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.

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