SCHEMBL16202037

SCHEMBL16202037

Cc1cc(-c2ccc(Cl)cc2Cl)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
HSD11B1 P28845 4/20 0.54
KCNH2 Q12809 1/20 0.51
CRHR1 P34998 7/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
DPP4 P27487 1/20 0.44
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
EGLN2 Q96KS0 1/20 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
SCHEMBL27705414 0.86 NPC1 (0.42) NPC1HSD11B1KCNH2CRHR1HPGD
SCHEMBL27705786 0.86 NPC1 (0.42) NPC1HSD11B1KCNH2CRHR1KMT2A
SCHEMBL28103411 0.83 HSD11B1 (0.50) NPC1HSD11B1KCNH2
SCHEMBL6313578 0.81 HSD11B1 (0.49) NPC1HSD11B1KCNH2CRHR1HPGD
SCHEMBL680116 0.81 HSD11B1 (0.50) NPC1HSD11B1HPGDALDH1A1KMT2A
SCHEMBL27705420 0.80 HSD11B1 (0.44) NPC1HSD11B1KCNH2CRHR1KMT2A
Benzene SCHEMBL27949779 0.79 HSD11B1 (0.46) NPC1HSD11B1CRHR1ALDH1A1EGLN2
SCHEMBL27934982 0.79 HSD11B1 (0.46) NPC1HSD11B1KCNH2CRHR1EGLN2
SCHEMBL3491201 0.77 KDM4E (0.50) NPC1KCNH2CRHR1HPGDUSP2
SCHEMBL3436445 0.76 MARS1 (0.60)

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 NPC1 634/4885HSD11B1 2575/4885KCNH2 3747/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NPC1 753/4885HSD11B1 3412/4885KCNH2 4214/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NPC1 753/4885HSD11B1 3412/4885KCNH2 4214/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885HSD11B1 1284/4885KCNH2 1781/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885HSD11B1 1284/4885KCNH2 1781/4885

“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.