SCHEMBL2872995

SCHEMBL2872995

Clc1nnc(Cl)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2A6 P11509 1/20 0.42
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.40
TYMP P19971 1/20 0.40

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
SCHEMBL2872108 0.86 MAOB (0.51) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL2865128 0.86 LMNA (0.41) NPC1RAB9AMAPK1LMNAHTT
SCHEMBL3018231 0.79 KDM4E (0.43) MAPK1LMNAHTTCYP1A2MAPT
SCHEMBL1898825 0.79 LMNA (0.47) NPC1RAB9AMAPK1LMNAHTT
SCHEMBL528504 0.79 GABRA1 (0.39) NPC1RAB9AMAPK1LMNAHTT
SCHEMBL28576050 0.79 KDM4E (0.44) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL12306078 0.78 LMNA (0.47) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL10131893 0.78 MAOB (0.45) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL3561069 0.77 LMNA (0.47) NPC1RAB9AMAPK1LMNACYP1A2
SCHEMBL3257778 0.76 PDE4A (0.46) LMNAHTTCYP1A2MAPTALDH1A1

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-20100130359-A1 Fungicidal Pyridazines, Processes for Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising Them BASF SE (DE) 2010-05-27 US disclosed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
EP-2064188-A1 FUNGICIDAL PYRIDAZINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR CONTROLLING FUNGI AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-03 EP disclosed
WO-2008135413-A1 FUNGICIDAL PYRIDAZINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR CONTROLLING FUNGI AND AGENTS CONTAINING THE SAME BASF SE (DE) 2008-11-13 WO disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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 (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-20100130359-A1 Fungicidal Pyridazines, Processes for Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising Them PNPO, CYP4Z1, CYP3A5 NPC1 3477/4885RAB9A 3804/4885MAPK1 1012/4885
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 NPC1 3839/4885RAB9A 2942/4885MAPK1 906/4885

“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.