SCHEMBL21157283

SCHEMBL21157283

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccccc3)cn12)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 5/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 5/20 0.38
HTT P42858 1/20 0.38
EPHX1 P07099 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL21156531 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL21157291 0.91 EED (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL21113204 0.90 RAB9A (0.42) ALOX15HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21157331 0.89 EED (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL21113144 0.89 RAB9A (0.42) HSD17B10ALDH1A1KDM4EHTTEPHX1
SCHEMBL21156100 0.89 ALDH1A1 (0.42) HSD17B10ALDH1A1KDM4EHTTKMT2A
SCHEMBL19964625 0.88 PRKDC (0.36) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL21156554 0.88 HRH3 (0.39) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL21156576 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL21156563 0.87 ALDH1A1 (0.35) HSD17B10ALDH1A1KDM4ESMN1; SMN2NPC1

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
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 CN disclosed
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 ALOX15 649/4885HSD17B10 3720/4885ALDH1A1 2816/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALOX15 649/4885HSD17B10 3720/4885ALDH1A1 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.