Sugi Predict

Sugi Predict / Compounds / SCHEMBL6478809

SCHEMBL6478809

SCHEMBL6478809

CN(C)C=Cc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 2/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ F2R P25116 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32

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
SCHEMBL6478807 1.00 TSHR (0.42) TSHRALDH1A1HTTKDM4ENPC1
SCHEMBL1932223 0.81 TSHR (0.48) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL29732385 0.81 TSHR (0.48) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL7905215 0.81 TSHR (0.48) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL17189814 0.79 TSHR (0.48) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL9187108 0.79 TSHR (0.46) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL395035 0.78 RAD51 (0.36) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL395034 0.78 RAD51 (0.36) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL1724687 0.77 NOS3 (0.39) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL1724685 0.77 NOS3 (0.39) ALDH1A1HTTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 — — CN disclosed
US-6906192-B2 Processes for the preparation of acid derivatives useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-14 — — US disclosed
US-20040077865-A1 Processes for the preparation of acid derivatives useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 — — US disclosed
EP-0430001-B1 Process for preparing benzaldehydes BAYER AG (DE) 1993-12-22 — — EP disclosed
US-5082976-A PROCESS FOR THE PREPARATION OF BENZALDEHYDES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 — — 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-20040077865-A1 Processes for the preparation of acid derivatives useful as serine protease inhibitors PEPD, PRSS1, SPINT2 TSHR 3578/4885ALDH1A1 1977/4885HTT 2356/4885

“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.