SCHEMBL8621876

SCHEMBL8621876

O=C1c2ccccc2C(=O)N1CCCSc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 3/20 0.57
TSHR P16473 2/20 0.53
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
HTR1A P08908 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL8618060 0.96 HSD17B10 (0.56) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8617960 0.91 HSD17B10 (0.60) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL11315099 0.85 MAPK1 (0.67) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8616332 0.81 MAPK1 (0.71) HSD17B10PKMPOLBALDH1A1MAPK1
SCHEMBL8915923 0.79 MAPK1 (0.63) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8915123 0.79 MAPK1 (0.63) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8915242 0.79 MAPK1 (0.63) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8915825 0.79 MAPK1 (0.63) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL8618993 0.78 CYP1A2 (0.77) CYP1A2CYP2D6CYP2C19HSD17B10TSHR
SCHEMBL4651676 0.77 HSD17B10 (0.82) CYP1A2HSD17B10PKMALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.