SCHEMBL8618993

SCHEMBL8618993

O=C1c2ccccc2C(=O)N1CCCSc1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C19 P33261 1/20 0.77
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 3/20 0.54
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL8621890 0.95 CYP1A2 (0.70) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL8618065 0.91 NPC1 (0.76) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL10458108 0.87 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL17266522 0.83 CYP1A2 (0.90) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL4397266 0.82 CYP1A2 (0.77) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL8914866 0.81 CYP1A2 (0.88) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL9084215 0.81 CYP1A2 (0.88) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL8614970 0.81 MAPK1 (0.63) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL8617387 0.80 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2
SCHEMBL11315099 0.80 MAPK1 (0.67) CYP1A2CYP2D6CYP2C19RAB9ASMN1; SMN2

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP 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.