SCHEMBL288957

SCHEMBL288957

C=Cc1cccc2[nH]n[c]c12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL558395 0.72 NOS1 (0.42) ALDH1A1
SCHEMBL558182 0.72 NOS1 (0.42)
SCHEMBL395374 0.72 GAA (0.33) ALDH1A1
SCHEMBL16097856 0.69 IDO1 (0.46)
SCHEMBL558190 0.68 AXL (0.47)
SCHEMBL7258404 0.68 GABRA1 (0.38) ALDH1A1
SCHEMBL29662088 0.67 NOS1 (0.55) ALDH1A1
SCHEMBL647458 0.66 NOS1 (0.50) ALDH1A1
SCHEMBL555089 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3079936 0.65 BCHE (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071530-B Fused pyrimidine piperidine ring derivatives, and preparation method and application thereof 上海艾力斯医药科技股份有限公司 2021-08-17 CN disclosed
CN-109071530-A Annelated pyrimidines piperidines ring derivatives and its preparation method and application 上海艾力斯医药科技有限公司 2018-12-21 CN disclosed
CN-107459519-A Annelated pyrimidines piperidines ring derivatives and its preparation method and application 上海艾力斯医药科技有限公司 2017-12-12 CN disclosed
CN-102421769-B Vinyl indazolyl compounds LILLY CO ELI (US) 2014-04-02 CN disclosed
CN-102421769-B Vinyl indazolyl compounds LILLY CO ELI (US) 2014-04-02 CN disclosed
EP-2427449-B1 VINYL INDAZOLYL COMPOUNDS LILLY CO ELI (US) 2013-04-03 EP disclosed
US-8268869-B2 Vinyl indazolyl compounds ELI LILLY AND COMPANY (US) 2012-09-18 US disclosed
US-8268869-B2 Vinyl indazolyl compounds ELI LILLY AND COMPANY (US) 2012-09-18 US disclosed
US-8268869-B2 Vinyl indazolyl compounds ELI LILLY AND COMPANY (US) 2012-09-18 US disclosed
CN-102421769-A Vinyl indazolyl compounds LILLY CO ELI (US) 2012-04-18 CN disclosed
CN-102421769-A Vinyl indazolyl compounds LILLY CO ELI (US) 2012-04-18 CN disclosed
EP-2427449-A1 VINYL INDAZOLYL COMPOUNDS Eli Lilly and Company (US) 2012-03-14 EP disclosed
WO-2010129509-A1 VINYL INDAZOLYL COMPOUNDS ELI LILLY AND COMPANY (US) 2010-11-11 WO disclosed
US-20100286209-A1 VINYL INDAZOLYL COMPOUNDS ELI LILLY AND COMPANY 2010-11-11 US disclosed
US-20100286209-A1 VINYL INDAZOLYL COMPOUNDS ELI LILLY AND COMPANY 2010-11-11 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-20100286209-A1 VINYL INDAZOLYL COMPOUNDS VHL, IDH3B, IDH3A ALDH1A1 466/4885

“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.