SCHEMBL9867262

SCHEMBL9867262

NCCSCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.60
CYP2D6 P10635 7/20 0.60
CYP2C19 P33261 7/20 0.60
CYP2C9 P11712 6/20 0.60
CYP3A4 P08684 5/20 0.60
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
LOXL2 Q9Y4K0 2/20 0.52
ALPG P10696 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
LMNA P02545 2/20 0.46
HRH1 P35367 2/20 0.45
KIF11 P52732 1/20 0.42
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL28902097 0.84 CYP2C19 (0.67) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL11119737 0.81 CYP2C19 (0.48) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL9150145 0.81 CYP3A4 (0.70) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL12796854 0.81 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL8410259 0.78 CYP2C19 (0.60) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL18781368 0.78 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL22922266 0.78 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
Ristianol SCHEMBL10352649 0.78 CYP2C19 (0.60) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL68470 0.77 CYP2C19 (0.68) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31058798 0.77 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4599336-A BRONCHODILATOR, THROMBOXANE SYNTHETASE INHIBITOR, ANTIARRHYTHMIA HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4067984-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-10 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 CYP1A2 3926/4885CYP2D6 4223/4885CYP2C19 4612/4885

“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.