SCHEMBL21157313

SCHEMBL21157313

C=C(c1c(C)c(C(=O)OCC)cc2cc(Cl)cn12)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL19964770 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2GLA
SCHEMBL19964768 0.79 BAZ2B (0.43) ALDH1A1KDM4EGAASMN1; SMN2GLA
SCHEMBL21157314 0.78 EED (0.49) PKM
SCHEMBL19964390 0.76 EED (0.39) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL21157315 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EGAATDP1HSD17B10
SCHEMBL21157283 0.73 ALOX15 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL21113322 0.73 L3MBTL3 (0.33) KDM4EL3MBTL1MAPT
SCHEMBL21156554 0.72 HRH3 (0.39) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A
SCHEMBL21251244 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRPKM
SCHEMBL21156531 0.71 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2USP2HPGD

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-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 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-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885KDM4E 52/4885GAA 4565/4885

“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.