SCHEMBL799202

SCHEMBL799202

CC1(C)COC(c2ccccc2N)=N1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 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
SCHEMBL29505905 1.00 KDM4E (0.53) KDM4EALDH1A1HTTATML3MBTL1
SCHEMBL18380643 0.87 KDM4E (0.61) KDM4EALDH1A1HTTATMLMNA
SCHEMBL29616919 0.87 KDM4E (0.61) KDM4EALDH1A1HTTATMLMNA
SCHEMBL10522006 0.85 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA
SCHEMBL4159068 0.81 KDM4E (0.54) KDM4EALDH1A1HTTATMLMNA
SCHEMBL8855987 0.80 KDM4E (0.58) KDM4EALDH1A1HTTATMLMNA
SCHEMBL31048531 0.79 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA
SCHEMBL7112634 0.79 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA
SCHEMBL31542580 0.79 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA
SCHEMBL2089146 0.79 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012149639-A1 NOVEL LATE TRANSITION METAL CATALYSTS FOR SELECTIVE POLYMER FORMATION RYERSON UNIVERSITY (CA) 2012-11-08 WO claimed
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-11-24 US disclosed
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-11-24 US disclosed
EP-4038069-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-08-10 EP disclosed
WO-2021063915-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
WO-2021063915-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
WO-2012149639-A1 NOVEL LATE TRANSITION METAL CATALYSTS FOR SELECTIVE POLYMER FORMATION RYERSON UNIVERSITY (CA) 2012-11-08 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 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 (5 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 KDM4E 4154/4885ALDH1A1 846/4885HTT 3353/4885
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS NDUFS3, SQOR, MT-ND4 KDM4E 3545/4885ALDH1A1 1319/4885HTT 3316/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 KDM4E 4216/4885ALDH1A1 857/4885HTT 2944/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KDM4E 2191/4885ALDH1A1 3750/4885HTT 2761/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 KDM4E 1533/4885ALDH1A1 1097/4885HTT 3163/4885

“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.