SCHEMBL21157327

SCHEMBL21157327

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccc4c(c3)OCO4)cn12)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
HPGD P15428 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
FKBP1A P62942 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL21157291 0.87 EED (0.43) HPGDALDH1A1LMNAKDM4EPOLB
SCHEMBL21157283 0.87 ALOX15 (0.41) HPGDALDH1A1LMNAKDM4EPOLB
SCHEMBL19964426 0.86 NPC1 (0.41) PRKCZHPGDALDH1A1LMNAKDM4E
SCHEMBL21113204 0.86 RAB9A (0.42) HPGDALDH1A1LMNAKDM4EPOLB
SCHEMBL21156531 0.85 ALDH1A1 (0.40) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL21156554 0.84 HRH3 (0.39) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL21157331 0.84 EED (0.46) HPGDALDH1A1LMNAKDM4EPOLB
SCHEMBL21113144 0.84 RAB9A (0.42) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL21157332 0.83 EED (0.47) PRKCZHPGDALDH1A1LMNAKDM4E
SCHEMBL21156563 0.83 ALDH1A1 (0.35) HPGDALDH1A1LMNAKDM4EPOLB

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 3 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
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP 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 PRKCZ 4053/4885HPGD 2872/4885ALDH1A1 2816/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 PRKCZ 4053/4885HPGD 2872/4885ALDH1A1 2816/4885

“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.