SCHEMBL4228575

SCHEMBL4228575

COc1ccc(C(NCCNC(c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.67
RAB9A P51151 1/20 0.67
GRM7 Q14831 1/20 0.67
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.63
PKM P14618 1/20 0.55
KMT2A Q03164 7/20 0.52
ALDH1A1 P00352 5/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 4/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL18812586 0.90 TDP1 (0.57) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8095249 0.82 MTOR (1.00) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL5093228 0.81 TDP1 (0.48) MTORRAB9AGRM7TSHRTDP1
SCHEMBL13184504 0.81 TDP1 (0.54) CYP3A4TDP1PKMKMT2AALDH1A1
SCHEMBL25791341 0.81 TDP1 (0.54) CYP3A4TDP1PKMKMT2AALDH1A1
SCHEMBL23349002 0.80 LTA4H (0.58) CYP3A4TDP1PKMKMT2AALDH1A1
Hydrochloric Acid SCHEMBL3012657 0.80 CYP3A4 (1.00) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL17340054 0.79 TDP1 (0.53) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL7780342 0.79 KMT2A (0.54) TDP1PKMKMT2AALDH1A1MITF
SCHEMBL13164343 0.78 ALDH1A1 (0.54) CYP3A4TDP1PKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 MTOR 3816/4885RAB9A 4399/4885GRM7 1883/4885

“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.