SCHEMBL4672868

SCHEMBL4672868

O=c1c(Cl)c(Cl)cnn1-c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
HTT P42858 6/20 0.67
ALDH1A1 P00352 6/20 0.67
MAPT P10636 4/20 0.67
PAX8 Q06710 3/20 0.67
S1PR4 O95977 3/20 0.67
S1PR1 P21453 3/20 0.67
XBP1 P17861 2/20 0.67
MITF O75030 2/20 0.67
THRB P10828 1/20 0.67
GAA P10253 3/20 0.59
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
GPR35 Q9HC97 1/20 0.51
CA12 O43570 1/20 0.49

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
SCHEMBL11731439 0.88 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL3039419 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL19000700 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL29724940 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL11729978 0.82 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL1461789 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL11732101 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL13219469 0.79 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL11724179 0.79 HTT (0.54) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL3022820 0.79 NPBWR1 (0.63) RAB9ANPC1SMN1; SMN2HTTALDH1A1

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-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 US disclosed
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 US disclosed
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
US-4002751-A SLEEP INDUCERS, CNS DEPRESSANTS SANDOZ, INC. (US) 1977-01-11 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO RAB9A 4468/4885NPC1 599/4885SMN1; SMN2 1763/4885
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS BAK1, DCLRE1B, BLVRB RAB9A 3085/4885NPC1 2327/4885SMN1; SMN2 4088/4885

“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.