SCHEMBL5843735

SCHEMBL5843735

Nc1cc(-n2ncc(Cl)c(Cl)c2=O)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.45
RAB9A P51151 8/20 0.45
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 5/20 0.45
PAX8 Q06710 3/20 0.45
MITF O75030 3/20 0.45
XBP1 P17861 3/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
THRB P10828 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 7/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL6955767 0.82 ALDH1A1 (0.45) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6979611 0.80 GAA (0.33) RAB9ANPC1PAX8GAANPBWR1
SCHEMBL6954881 0.79 ALDH1A1 (0.50) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5843688 0.78 SMN1; SMN2 (0.41) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5843154 0.78 HTT (0.41) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5841555 0.78 SMN1; SMN2 (0.50) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL9665772 0.78 RAB9A (0.50) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5841567 0.76 RAB9A (0.42) HTTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL10413922 0.76 P2RX7 (0.34) MAPT
SCHEMBL5842855 0.74 RAB9A (0.40) HTTRAB9AALDH1A1SMN1; SMN2NPC1

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 HTT 2267/4885RAB9A 2247/4885ALDH1A1 35/4885

“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.