SCHEMBL4607720

SCHEMBL4607720

Nc1n[nH]c(-c2ccncc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
CYP1A2 P05177 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
ALPL P05186 1/20 0.63
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 3/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.46
ROCK2 O75116 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
GRK2 P25098 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL2847578 0.81 KDM4E (1.00) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8726601 0.81 ALPL (0.71) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8808 0.78 ALPL (0.67) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL21359662 0.78 ALPL (0.67) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL7819474 0.78 ALPL (1.00) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8731546 0.78 KDM4E (0.92) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL5792174 0.78 ALPL (0.67) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8729070 0.78 ALPL (0.67) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8726592 0.77 ALPL (0.61) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL5787498 0.77 ALDH1A1 (0.65) KDM4ECYP1A2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195429-B1 Automatic dishwashing process and automatic dishwashing compositions having improved anti-corrosion characteristics HENKEL KGAA (DE) 2006-06-07 EP claimed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US claimed
US-8277782-B2 Antiinflammatory agent, metalloproteinase inhibitor, anti-oxidant and modifier of cell redox status, vitamins, inhibitor of activation of nuclear factor kappa beta THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
EP-1294367-B1 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT PROCTER & GAMBLE (US) 2008-07-16 EP disclosed
US-20060193790-A1 Promoting whole body health THE PROCTER & GAMBLE COMPANY 2006-08-31 US disclosed
US-20050042283-A1 Histamine and CCK2/gastrin receptor blockade in the treatment of acid-peptic disease and cancer UNIVERSITY OF MASSACHUSETTS (US) 2005-02-24 US disclosed
WO-2005007107-A2 HISTAMINE AND CCK2/GASTRIN RECEPTOR BLOCKADE IN THE TREATMENT OF ACID-PEPTIC DISEASE AND CANCER UNIVERSITY OF MASSACHUSETTS (US) 2005-01-27 WO disclosed
EP-1294367-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT The Procter & Gamble Company (US) 2003-03-26 EP disclosed
WO-2002002096-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-10 WO disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed
US-5364616-A Use of H-2 antagonists for treatment of gingivitis THE PROCTER & GAMBLE COMPANY (US) 1994-11-15 US disclosed
US-5294433-A Dentistry THE PROCTER & GAMBLE COMPANY (US) 1994-03-15 US disclosed
WO-1993020815-A1 USE OF H-2 ANTAGONISTS FOR TREATMENT OF GINGIVITIS THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO disclosed
US-4497814-A 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-02-05 US disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US 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-20060193790-A1 Promoting whole body health IFNG, TNF, TLR6 KDM4E 4204/4885CYP1A2 2115/4885ALDH1A1 4304/4885
US-20050042283-A1 Histamine and CCK2/gastrin receptor blockade in the treatment of acid-peptic disease and cancer HRH2, CCKBR, GRPR KDM4E 4168/4885CYP1A2 718/4885ALDH1A1 2969/4885

“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.