SCHEMBL1531100

SCHEMBL1531100

Cc1cc(Oc2ccccc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HAO1 Q9UJM8 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AURKA O14965 1/20 0.46
SRC P12931 1/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.43
GPR55 Q9Y2T6 2/20 0.43

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
SCHEMBL13326027 0.84 ALDH1A1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1531227 0.81 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL13165185 0.79 MEN1 (0.44) HAO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4278381 0.78 HAO1 (0.48) L3MBTL1HAO1NPC1RAB9ASMN1; SMN2
SCHEMBL1531132 0.77 MAPT (0.49) L3MBTL1RAB9AMAPTCYP1A2MAPK1
SCHEMBL13406384 0.77 NPC1 (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2AURKA
Hydrochloric Acid SCHEMBL9740785 0.76 BCAT2 (0.46) L3MBTL1HAO1NPC1RAB9ASMN1; SMN2
SCHEMBL1531253 0.75 PIK3C3 (0.56) NPC1RAB9AGSK3BMAPTMEN1
SCHEMBL3259500 0.73 IKBKE (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25125962 0.73 NPC1 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2AURKA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 L3MBTL1 3510/4885HAO1 689/4885NPC1 4393/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 L3MBTL1 3510/4885HAO1 689/4885NPC1 4393/4885

“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.