SCHEMBL21156593

SCHEMBL21156593

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cc(OC)c(CN4CCOCC4)c(OC)c3)cn12)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 4/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EED O75530 3/20 0.33
RBBP4 Q09028 3/20 0.33
SUZ12 Q15022 3/20 0.33

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
SCHEMBL21157287 0.89 TSHR (0.41) EZH2TSHRMAPTMEN1KMT2A
SCHEMBL19964426 0.87 NPC1 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21156554 0.86 HRH3 (0.39) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL21156563 0.86 ALDH1A1 (0.35) EZH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19964853 0.85 EZH2 (0.35) EZH2TSHRALDH1A1GAAEED
SCHEMBL19964854 0.85 EED (0.47) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21251228 0.84 CNR2 (0.38) EZH2ALDH1A1KDM4EEEDRBBP4
SCHEMBL21113204 0.83 RAB9A (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21157283 0.82 ALOX15 (0.41) TSHRMAPTALDH1A1CD274KDM4E
SCHEMBL21157293 0.81 ALDH1A1 (0.39) EZH2MAPTALDH1A1KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
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 (2 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 EZH2 1/4885TSHR 3084/4885MAPT 4100/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885TSHR 3084/4885MAPT 4100/4885

“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.