SCHEMBL16896271

SCHEMBL16896271

c1cc(-c2nnc(SSc3nnc(-c4ccncc4)[nH]3)[nH]2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
NPY5R Q15761 1/20 0.38
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK14 Q16539 3/20 0.37
RAF1 P04049 2/20 0.37
MAPK9 P45984 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16896257 0.87 BTK (0.44) LMNAMAPTKDM4EALDH1A1NPY5R
SCHEMBL9528801 0.84 MAPK13 (0.46) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL10000033 0.82 LMNA (0.53) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL16907285 0.77 BTK (0.49) LMNAMAPTKDM4EALDH1A1NPY5R
SCHEMBL912607 0.72 MAPT (0.42) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL13258488 0.72 LMNA (0.42) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL420012 0.72 MGAM (0.43) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL6410220 0.70 MAPK14 (0.55) LMNAMAPTKDM4EALDH1A1MAPK14
SCHEMBL23527295 0.69 HPGD (0.60) LMNAMAPTKDM4EALDH1A1CYP1A2
SCHEMBL14392319 0.69 BRAF (0.41) LMNAMAPTKDM4EALDH1A1PKN1

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
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US claimed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP claimed
EP-3094619-B1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN MASSACHUSETTS GEN HOSPITAL (US) 2019-07-31 EP claimed
US-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US claimed
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US disclosed
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US disclosed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP disclosed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP disclosed
EP-3094619-B1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN MASSACHUSETTS GEN HOSPITAL (US) 2019-07-31 EP disclosed
EP-3094619-B1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN MASSACHUSETTS GEN HOSPITAL (US) 2019-07-31 EP disclosed
EP-3094619-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2016-11-23 EP disclosed
US-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
US-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
WO-2015106240-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION (US) 2015-07-16 WO disclosed
WO-2015106240-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION (US) 2015-07-16 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-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN HIF1AN, HBG2, HIF1A LMNA 4829/4885MAPT 4551/4885KDM4E 1683/4885
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin HIF1AN, HBG2, HIF1A LMNA 4829/4885MAPT 4551/4885KDM4E 1683/4885

“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.