SCHEMBL5842855

SCHEMBL5842855

O=CNc1cc(F)c(-n2ncc(Cl)c(Cl)c2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
HTT P42858 7/20 0.40
NPC1 O15118 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
PAX8 Q06710 3/20 0.40
XBP1 P17861 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
MITF O75030 2/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 4/20 0.35
PKM P14618 1/20 0.35
CNR2 P34972 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
SCHEMBL5841567 0.76 RAB9A (0.42) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL5841555 0.75 SMN1; SMN2 (0.50) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL9665772 0.75 RAB9A (0.50) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL5843735 0.74 HTT (0.45) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL6955767 0.74 ALDH1A1 (0.45) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL5843154 0.73 HTT (0.41) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL6954881 0.71 ALDH1A1 (0.50) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL5843688 0.70 SMN1; SMN2 (0.41) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL19000700 0.69 RAB9A (0.61) RAB9AHTTNPC1ALDH1A1MAPT
SCHEMBL11731409 0.68 RAB9A (0.46) RAB9AHTTNPC1ALDH1A1MAPT

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-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 EP disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 RAB9A 2247/4885HTT 2267/4885NPC1 4089/4885

“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.