SCHEMBL5669166

SCHEMBL5669166

CCCCCNCC=CN

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM1A O60341 5/20 0.52
ADH1B P00325 2/20 0.43
ADH1C P00326 2/20 0.43
ADH1A P07327 2/20 0.43
ADH7 P40394 2/20 0.43
EPHX1 P07099 2/20 0.43
ADH4 P08319 1/20 0.43
PPARA Q07869 1/20 0.36
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35

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
SCHEMBL8428945 0.98 KDM1A (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL8424536 0.98 KDM1A (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL10943302 0.98 KDM1A (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL10827259 0.98 KDM1A (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL3476979 0.98 KDM1A (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL7037260 0.90 PPARA (0.50) TSHRALDH1A1KDM1APPARA
SCHEMBL17734071 0.83
SCHEMBL27374616 0.80 ALDH1A1 (0.56) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL5884796 0.79 TSHR (0.55) TSHRALDH1A1KDM1AADH1BADH1C
SCHEMBL5884803 0.79 TSHR (0.55) TSHRALDH1A1KDM1AADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372532-C Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
CN-1780617-A Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1249123-C Method for preparing nylon 6,6 DU PONT (CH) 2006-04-05 CN disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US disclosed
CN-1513016-A Process for making nylon 6,6 ��Ľ���Ű˾ 2004-07-14 CN 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR TSHR 38/4885ALDH1A1 2894/4885KDM1A 3240/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR TSHR 144/4885ALDH1A1 2221/4885KDM1A 3306/4885

“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.