SCHEMBL4833974

SCHEMBL4833974

OCc1cncn1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NOS1 P29475 3/20 0.38
HCAR1 Q9BXC0 1/20 0.34
CYP19A1 P11511 1/20 0.34
SCN9A Q15858 1/20 0.34
ABCB1 P08183 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 1/20 0.33
TGFBR1 P36897 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL4003305 0.82 CYP11B1 (0.44) CYP11B1CYP11B2NOS1CYP19A1CYP3A4
SCHEMBL1698952 0.82 CYP11B1 (0.39) CYP11B1CYP11B2NOS1CYP3A4CYP2D6
SCHEMBL2359179 0.81 NOS1 (0.52) CYP11B1CYP11B2HSP90AA1HSP90AB1NOS1
SCHEMBL16100223 0.79 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1
SCHEMBL14243162 0.79 CYP11B1 (0.43) CYP11B1CYP11B2NOS1CYP3A4CYP2D6
SCHEMBL24013546 0.74 CYP11B1 (0.36) CYP11B1CYP11B2HSP90AA1HSP90AB1
SCHEMBL899423 0.74 CYP11B2 (0.35) CYP11B1CYP11B2NOS1
SCHEMBL27399063 0.71 KDM4E (0.41) CYP11B1CYP11B2HSP90AA1HSP90AB1HCAR1
SCHEMBL14109842 0.70 TDP1 (0.43) HSP90AA1HSP90AB1HCAR1ABCB1LMNA
SCHEMBL6601220 0.70 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1THRB

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP11B1 377/4885CYP11B2 90/4885HSP90AA1 2751/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP11B1 377/4885CYP11B2 90/4885HSP90AA1 2751/4885

“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.