SCHEMBL6547425

SCHEMBL6547425

ClCCCCN(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
SIGMAR1 Q99720 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
JAK2 O60674 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMPD1 P17405 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
SCHEMBL5074222 0.93 KCNH2 (0.44) KCNH2SIGMAR1MTNR1AMTNR1BNPC1
SCHEMBL4970515 0.88 KCNH2 (0.50) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL10830280 0.85 KCNH2 (0.48) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL4194250 0.85 KCNH2 (0.48) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL3637570 0.83 KCNH2 (0.45) KCNH2SIGMAR1MTNR1AMTNR1BNPC1
Hydrochloric Acid SCHEMBL10830320 0.83 KCNH2 (0.47) KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL138431 0.83 KCNH2 (0.50) KCNH2SIGMAR1MTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL11683567 0.81 KCNH2 (0.44) KCNH2SIGMAR1MTNR1AMTNR1BNPC1
SCHEMBL7926319 0.81 KCNA3 (0.38) KCNH2MTNR1AMTNR1B
SCHEMBL9808066 0.78 SIGMAR1 (0.47) KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800618-B2 PHENOTHIAZINE OR IMINODIBENZYL DERIVATIVES AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-10-05 US disclosed
US-20040052961-A1 Electroless copper plating of ferrous metal substrates CHEMETALL GMBH (DE) 2004-03-18 US disclosed
EP-1381712-A2 ELECTROLESS COPPER PLATING OF FERROUS METAL SUBSTRATES Chemetall GmbH (DE) 2004-01-21 EP disclosed
US-20030032801-A1 Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2003-02-13 US disclosed
WO-2002089810-A1 CHEMOSENSITIZING AGENTS AGAINST CHLOROQUINE RESISTANT PLASMODIUM FALCIPARUM AND METHODS OF MAKING AND USING THEREOF UNITED STATES ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-11-14 WO disclosed
WO-2002053801-A2 ELECTROLESS COPPER PLATING OF FERROUS METAL SUBSTRATES CHEMETALL GMBH (DE) 2002-07-11 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 (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-20030032801-A1 Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof ABCC1, SLC11A2, G6PD KCNH2 3044/4885SIGMAR1 174/4885MTNR1A 2570/4885

“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.