SCHEMBL5841567

SCHEMBL5841567

N#Cc1cc(F)c(-n2ncc(Cl)c(Cl)c2=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
ALDH1A1 P00352 6/20 0.42
HTT P42858 6/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
PAX8 Q06710 3/20 0.42
XBP1 P17861 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
MITF O75030 2/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
PKM P14618 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL5843112 0.84 ALDH1A1 (0.47) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL5841603 0.84 RAB9A (0.47) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL7754759 0.77 TRPV4 (0.35) ALDH1A1TRPV4GAACYP11B2CYP11B1
SCHEMBL5842855 0.76 RAB9A (0.40) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL6955767 0.76 ALDH1A1 (0.45) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL5843735 0.76 HTT (0.45) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL5843154 0.75 HTT (0.41) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL5841555 0.74 SMN1; SMN2 (0.50) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL9665772 0.74 RAB9A (0.50) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL6174302 0.74 MEN1 (0.39) ALDH1A1THRBKMT2ATRPV4CYP11B2

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 2247/4885ALDH1A1 35/4885HTT 2267/4885

“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.