SCHEMBL4724672

SCHEMBL4724672

CCCCOc1ccc(-c2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.57
CYP3A4 P08684 6/20 0.57
LTA4H P09960 1/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
CYP1A2 P05177 6/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
ADRB2 P07550 1/20 0.53
CYP19A1 P11511 7/20 0.51
CYP2C9 P11712 7/20 0.51
CYP2C19 P33261 7/20 0.51
PDPK1 O15530 1/20 0.50
PLA2G4A P47712 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4719960 0.93 RAB9A (0.55) CYP2D6CYP3A4LTA4HRAB9ALMNA
SCHEMBL3072552 0.87 LOXL2 (0.53) CYP2D6CYP3A4LTA4HRAB9ALMNA
SCHEMBL4720884 0.86 LOXL2 (0.56) CYP2D6CYP3A4LTA4HRAB9AMAPT
SCHEMBL29356666 0.85 LOXL2 (0.51) CYP2D6CYP3A4LTA4HRAB9ALMNA
SCHEMBL6326389 0.83 LOXL2 (0.62) LTA4HRAB9ALMNAMAPTLOXL2
SCHEMBL28229988 0.83 LTA4H (0.59) CYP2D6CYP3A4LTA4HCYP1A2LOXL2
SCHEMBL10588202 0.83 SMN1; SMN2 (0.60) CYP2D6CYP3A4CYP1A2LOXL2CYP19A1
SCHEMBL468180 0.81 LOXL2 (0.59) RAB9AMAPTLOXL2ADRB2PDPK1
SCHEMBL468161 0.79 PDPK1 (0.57) RAB9AMAPTLOXL2ADRB2CYP19A1
SCHEMBL28579042 0.78 PDPK1 (0.61) LTA4HLOXL2ADRB2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 CYP2D6 112/4885CYP3A4 152/4885LTA4H 70/4885
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 CYP2D6 1062/4885CYP3A4 1005/4885LTA4H 471/4885

“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.