SCHEMBL1506053

SCHEMBL1506053

C=CCNC(=N)NCC=C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.35
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 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
SCHEMBL625298 0.86
SCHEMBL7996738 0.84
SCHEMBL14289025 0.84
SCHEMBL5580158 0.84
SCHEMBL245633 0.80 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL6589055 0.79
Hydrochloric Acid SCHEMBL11785454 0.78 TSHR (0.39) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL5969554 0.78 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL8916103 0.78 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL7047690 0.78

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698618-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-18 EP claimed
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP claimed
US-6656910-B2 Serine protease inhibitors CORTECH, INC. 2003-12-02 US claimed
US-20030060418-A1 Serine protease inhibitors CORTECH, INC. 2003-03-27 US claimed
EP-1105412-A1 SERINE PROTEASE INHIBITORS COMPRISING ALPHA-KETO HETEROCYCLES CORTECH, INC. (US) 2001-06-13 EP claimed
US-6159938-A Serine protease inhibitors comprising α-keto heterocycles CORTECH, INC. 2000-12-12 US claimed
EP-0793674-B1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH INC (US) 2000-05-24 EP claimed
WO-2000009542-A1 SERINE PROTEASE INHIBITORS COMPRISING α-KETO HETEROCYCLES CORTECH, INC. (US) 2000-02-24 WO claimed
EP-0979242-A2 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH, INC. (US) 2000-02-16 EP claimed
US-6015791-A Serine protease inhibitors-cycloheptane derivatives CORTECH INC. (US) 2000-01-18 US claimed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US claimed
US-5861380-A OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE; ADULT RESPIRATORY DISTRESS SYNDROME; ANTIARTHRITIC,-INFLAMMATORY,-ISCHEMIC,-TUMOR AND -CARCINOGENIC AGENTS AND OTHER HNE-MEDIATED CONDITIONS CORTECH, INC. (US) 1999-01-19 US claimed
US-5843905-A Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-01 US claimed
WO-1998049190-A2 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-11-05 WO claimed
US-5807829-A RESPIRATORY SYSTEM DISORDERS; SESPIC SHOCK; ORGAN FAILURE CORTECH, INC. (US) 1998-09-15 US claimed
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 EP claimed
US-5801148-A Serine protease inhibitors-proline analogs CORTECH, INC. (US) 1998-09-01 US claimed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 WO claimed
US-5677283-A α-heteroaryloxymethyl ketones as interleukin - 1 β converting enzyme inhibitors SANOFI (FR) 1997-10-14 US claimed
EP-0644197-A1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP claimed

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-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 ALDH1A1 3127/4885TSHR 3616/4885SMN1; SMN2 2711/4885

“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.