SCHEMBL16202039

SCHEMBL16202039

COc1ccn(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PIP4K2A P48426 2/20 0.38
GAA P10253 1/20 0.38
PIK3CG P48736 1/20 0.38
NPBWR1 P48145 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 7/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADRB1 P08588 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
SCHEMBL16202040 0.81 ALDH1A1 (0.36) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL28783897 0.80 ALDH1A1 (0.50) ALDH1A1NPC1NOTUMKMT2AKDM4E
SCHEMBL16202041 0.79 ALDH1A1 (0.38) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL15984869 0.78 HTT (0.50) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL8437249 0.78 SIGMAR1 (0.56) NOTUMSIGMAR1
SCHEMBL18868880 0.77 OXTR (0.45) KDM4EMAPTPIP4K2APIK3CGALOX15
SCHEMBL27781400 0.77 ABCB11 (0.50) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL28020284 0.76 NOTUM (0.57) ALDH1A1NPC1NOTUMKMT2AMAPT
SCHEMBL44771 0.75 ALDH1A1 (0.49) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL18865745 0.75 KMT2A (0.37) ALDH1A1NPC1MEN1KMT2AKDM4E

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 ALDH1A1 2106/4885NPC1 634/4885NOTUM 2417/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ALDH1A1 3309/4885NPC1 753/4885NOTUM 2527/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 ALDH1A1 3309/4885NPC1 753/4885NOTUM 2527/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885NPC1 601/4885NOTUM 3419/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885NPC1 601/4885NOTUM 3419/4885

“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.