SCHEMBL7473447

SCHEMBL7473447

CCc1csc(C#N)c1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
CYP2A6 P11509 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2292308 0.79 ALDH1A1 (0.36) ALDH1A1MAPTGAAPOLB
SCHEMBL7416987 0.73
SCHEMBL16572130 0.71 TSHR (0.34) GAACYP2A6
SCHEMBL28127680 0.71 ALDH1A1 (0.35) ALDH1A1MAPTHTTGAAPOLB
SCHEMBL15897040 0.70
SCHEMBL27503899 0.70
SCHEMBL22789086 0.69 TKT (0.32) ALDH1A1POLB
SCHEMBL8707913 0.68
Hydrochloric Acid SCHEMBL27502843 0.68 GAA (0.33) ALDH1A1GAA
SCHEMBL27472507 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
EP-1165601-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000061609-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 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 (3 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ALDH1A1 837/4885MAPT 4285/4885HTT 4087/4885
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 ALDH1A1 2265/4885MAPT 3325/4885HTT 3389/4885
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1750/4885MAPT 4223/4885HTT 2689/4885

“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.