SCHEMBL5437391

SCHEMBL5437391

[CH2]c1ccc(Cl)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.68
CYP1A2 P05177 3/20 0.68
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
NR4A2 P43354 1/20 0.41
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 3/20 0.33
BRD4 O60885 1/20 0.33
HSP90AA1 P07900 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
TYMS P04818 1/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL7832412 0.84 CYP1A2 (0.68) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL29494605 0.83 CYP2A6 (1.00) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL11806091 0.83 ALDH1A1 (0.39) CYP2A6CYP1A2KMT2ATSHRALDH1A1
SCHEMBL2473555 0.83 CYP2A6 (1.00) CYP2A6CYP1A2KMT2AATMNR4A2
Benzene SCHEMBL28735904 0.70 CYP2A6 (0.72) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL29629127 0.70 CYP1A2 (1.00) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL2468811 0.70 CYP1A2 (1.00) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL2131990 0.69 CYP2A6 (0.59) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL6417657 0.69 CYP2A6 (0.59) CYP2A6CYP1A2KMT2AATMNR4A2
SCHEMBL10019192 0.69 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMNR4A2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US claimed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO claimed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
EP-0299974-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP disclosed
EP-0299973-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP disclosed
WO-1987006133-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO disclosed
WO-1987006127-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 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 (4 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP2A6 127/4885CYP1A2 18/4885KMT2A 3723/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP2A6 4487/4885CYP1A2 4551/4885KMT2A 3513/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP2A6 4487/4885CYP1A2 4551/4885KMT2A 3513/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP2A6 100/4885CYP1A2 49/4885KMT2A 3524/4885

“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.