SCHEMBL6778095

SCHEMBL6778095

Clc1nnc(Cl)c2cc(-n3cccn3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
NLRP3 Q96P20 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LRRK2 Q5S007 1/20 0.40
MAT2A P31153 1/20 0.39
CAPN1 P07384 1/20 0.39
PDK2 Q15119 1/20 0.39
MAPT P10636 2/20 0.38
SOS1 Q07889 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
GRM5 P41594 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37

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
SCHEMBL28740983 0.80 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL12450338 0.79 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL1536322 0.76 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL11337325 0.75 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL7425604 0.75 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL4341894 0.73 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL25400986 0.73 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL182132 0.72 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL5934873 0.72 NOTUM (0.57) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL173839 0.72 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP 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 (1 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 NOTUM 2754/4885KDM4E 1371/4885ALDH1A1 410/4885

“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.