SCHEMBL21156576

SCHEMBL21156576

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccccn3)cn12)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
USP2 O75604 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
BRD9 Q9H8M2 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGDS O60760 1/20 0.34
EZH2 Q15910 2/20 0.34
GABRA5 P31644 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL21157283 0.88 ALOX15 (0.41) ALDH1A1MAPTLMNAKDM4EPOLB
SCHEMBL21157354 0.87 ALDH1A1 (0.38) ALDH1A1LMNAEZH2EEDRBBP4
SCHEMBL21156531 0.86 ALDH1A1 (0.40) ALDH1A1USP2LMNAKDM4EEZH2
SCHEMBL21113175 0.85 JMJD6 (0.40) ALDH1A1MAPTLMNAKDM4EEZH2
SCHEMBL19964445 0.85 EZH2 (0.46) ALDH1A1LMNAEZH2EEDRBBP4
SCHEMBL21156100 0.85 ALDH1A1 (0.42) ALDH1A1USP2MAPTKDM4EPOLB
SCHEMBL21157289 0.84 EZH2 (0.44) ALDH1A1USP2LMNAEZH2EED
SCHEMBL21156575 0.84 EED (0.47) ALDH1A1EZH2EEDRBBP4SUZ12
SCHEMBL21157340 0.84 EZH2 (0.45) ALDH1A1USP2LMNAEZH2EED
SCHEMBL21113254 0.83 EZH2 (0.46) ALDH1A1LMNAEZH2EEDRBBP4

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 ALDH1A1 2816/4885USP2 3578/4885SCN9A 4624/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885USP2 3578/4885SCN9A 4624/4885

“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.