SCHEMBL9007828

SCHEMBL9007828

Cc1ccccc1Oc1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
MAP4K4 O95819 1/20 0.46
MRGPRX1 Q96LB2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL27423640 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4799563 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30749441 0.79 GAA (0.41) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL16618022 0.79 KMT2A (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL2964219 0.78 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29972178 0.77 KEAP1 (0.40) MEN1KMT2AMAP4K4KEAP1ALDH1A1
SCHEMBL11196649 0.76 HSP90AA1 (0.46) MAP4K4LMNAMAPTHSP90AA1MAPK14
SCHEMBL28102301 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28100319 0.75 MAPK14 (0.49) SMN1; SMN2MAP4K4ALDH1A1HTTMAPK14
SCHEMBL12825961 0.74 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156932-A1 Method of increasing the milk and/or meat quantity of silage-fed animals BASF SE (DE) 2013-06-20 US disclosed
US-8273686-B2 Method for combating phytopathogenic fungi BASF SE (DE) 2012-09-25 US disclosed
US-8188003-B2 Method of inducing virus tolerance of plants BASF AKTIENGESELLSCHAFT (DE) 2012-05-29 US disclosed
US-20100291231-A1 Compositions as Wound Sealant BASF SE (DE) 2010-11-18 US disclosed
US-20100292237-A1 Method for Combating Phytopathogenic Fungi BASF SE (DE) 2010-11-18 US disclosed
US-20100272853-A1 Method of Increasing the Milk and/or Meat Quantity of Silage-Fed Animals BASF SE (DE) 2010-10-28 US disclosed
US-20090233916-A1 METHOD OF INDUCING VIRUS TOLERANCE OF PLANTS BASF SE (DE) 2009-09-17 US disclosed
US-20090186762-A1 METHOD FOR IMPROVING THE TOLERANCE OF PLANTS TO CHILLING TEMPERATURES AND/OR FROST BASF SE (DE) 2009-07-23 US disclosed
US-20090143416-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-06-04 US disclosed
US-20090104222-A1 COMPOSITION COMPRISING A GLUCAN OR A GLUCAN DERIVATIVE AND A PESTICIDE AND METHODS FOR IMPROVING PLANT HEALTH BASF SE (DE) 2009-04-23 US disclosed
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US disclosed
US-20080287426-A1 Method of Inducing Resistance to Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 US 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 (8 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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 SMN1; SMN2 4289/4885NPC1 1971/4885RAB9A 3551/4885
US-20090143416-A1 Method of Inducing Tolerance of Plants Against Bacterioses CBR3, CBR1, CYCS SMN1; SMN2 4739/4885NPC1 570/4885RAB9A 1985/4885
US-20090104222-A1 COMPOSITION COMPRISING A GLUCAN OR A GLUCAN DERIVATIVE AND A PESTICIDE AND METHODS FOR IMPROVING PLANT HEALTH ALG1, GHDC, GYS2 SMN1; SMN2 3489/4885NPC1 3450/4885RAB9A 3589/4885
US-20080287426-A1 Method of Inducing Resistance to Harmful Fungi CYC1, MT-CO2, UQCRC1 SMN1; SMN2 3791/4885NPC1 1754/4885RAB9A 3762/4885
US-20090186762-A1 METHOD FOR IMPROVING THE TOLERANCE OF PLANTS TO CHILLING TEMPERATURES AND/OR FROST UQCRC1, UQCRC2, CYC1 SMN1; SMN2 2500/4885NPC1 1109/4885RAB9A 3195/4885
US-20100292237-A1 Method for Combating Phytopathogenic Fungi CYC1, UQCRC1, MT-CO2 SMN1; SMN2 3525/4885NPC1 884/4885RAB9A 3649/4885
US-20090233916-A1 METHOD OF INDUCING VIRUS TOLERANCE OF PLANTS EIF2AK2, CAT, SLC11A2 SMN1; SMN2 3607/4885NPC1 2103/4885RAB9A 3589/4885
US-20100291231-A1 Compositions as Wound Sealant CUTA, STOM, HIRA SMN1; SMN2 3597/4885NPC1 1042/4885RAB9A 1661/4885

“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.