SCHEMBL16896248

SCHEMBL16896248

Cc1nn(-c2ccccc2)c(C=O)c1SSc1c(C)nn(-c2ccccc2)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FCGR1A P12314 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HIF1A Q16665 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
SCHEMBL28301878 0.74 ABCB1 (0.55) KDM4CLMNAHTTNPC1RAB9A
SCHEMBL8883561 0.72 LMNA (0.60) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL1779819 0.71 HTT (0.64) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL27458708 0.71 ALDH1A1 (0.50) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL3835167 0.69 HTT (0.64) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL29956682 0.69 LMNA (0.60) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL1267498 0.69 SMN1; SMN2 (0.66) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8883850 0.69 LMNA (0.60) KDM4CLMNAHTTSMN1; SMN2RAB9A
Acetic Acid SCHEMBL9593918 0.69 LMNA (0.56) KDM4CLMNAHTTSMN1; SMN2NPC1
SCHEMBL5752394 0.68 MPO (0.51) KDM4CLMNAHTTNPC1RAB9A

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 16 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
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 KDM4C 2688/4885LMNA 4829/4885HTT 1252/4885
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin HIF1AN, HBG2, HIF1A KDM4C 2688/4885LMNA 4829/4885HTT 1252/4885

“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.

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