SCHEMBL2804549

SCHEMBL2804549

c1ccc(Cn2cnc(CSSSSCc3cn(Cc4ccccc4)cn3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4C Q9H3R0 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM5A P29375 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 1/20 0.41
QPCT Q16769 1/20 0.41

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
SCHEMBL9598245 0.81 CYP3A4 (0.51) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL20925176 0.80 KDM4C (0.48) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28417084 0.80 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL30741761 0.80 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL5023714 0.78 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28422539 0.78 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL1187114 0.78 KDM4E (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28417071 0.78 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28074771 0.78 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL6896976 0.75 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
WO-2010045582-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-04-22 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 (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-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 HPGDS 111/4885CYP3A4 3440/4885CYP2D6 3187/4885

“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.