SCHEMBL17540561

SCHEMBL17540561

Bc1ccc(C#N)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.52
▸ IMPDH1 P20839 2/20 0.52
▸ AR P10275 8/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ PNMT P11086 1/20 0.42
▸ CYP19A1 P11511 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL11228244 0.85 IMPDH2 (0.59) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL151936 0.85 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL29489135 0.85 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL11193357 0.83 IMPDH2 (0.61) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL29489124 0.80 CA1 (0.54) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL45954 0.80 CA1 (0.54) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL16917824 0.78 IMPDH2 (0.57) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL12019946 0.77 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL11200010 0.76 IMPDH2 (0.55) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL9746966 0.75 PNMT (0.52) IMPDH2IMPDH1ARKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183784-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME Lapto Co., Ltd. (KR) 2023-05-24 — — EP disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 — — US disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 — — US disclosed
WO-2017173965-A1 NOVEL URAT1 INHIBITOR AND PHARMACEUTICAL APPLICATION THEREOF 江苏新元素医药科技有限公司 2017-10-12 — — WO disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 — — US disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 — — US disclosed
EP-3181557-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-06-21 — — EP disclosed
WO-2016023460-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF 上海页岩科技有限公司 2016-02-18 — — WO 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-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 IMPDH2 804/4885IMPDH1 826/4885AR 2916/4885

“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.

Send feedback