SCHEMBL1389699

SCHEMBL1389699

Cc1cc(C(CC(c2ccc(-c3cncnc3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.77
CTSA P10619 7/20 0.36
WNT3A P56704 3/20 0.35
NR3C2 P08235 1/20 0.34
HDAC4 P56524 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL369407 1.00 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL369406 1.00 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL1389697 1.00 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL362335 0.90 GPBAR1 (0.61) GPBAR1CTSAHDAC4
SCHEMBL363055 0.90 GPBAR1 (0.61) GPBAR1CTSAHDAC4
SCHEMBL363379 0.90 GPBAR1 (0.61) GPBAR1CTSAHDAC4
SCHEMBL1389746 0.88 GPBAR1 (0.78) GPBAR1CTSANR3C2
SCHEMBL1389749 0.88 GPBAR1 (0.78) GPBAR1CTSANR3C2
SCHEMBL1389747 0.88 GPBAR1 (0.78) GPBAR1CTSANR3C2
SCHEMBL362360 0.88 GPBAR1 (0.78) GPBAR1CTSANR3C2

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US claimed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (1 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885CTSA 3225/4885WNT3A 4280/4885

“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.