SCHEMBL887412

SCHEMBL887412

CCOC(=O)C(=[N+]=[N-])C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 7/20 0.47
TSHR P16473 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
OPRK1 P41145 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL887431 0.88 CA12 (0.46) ALDH1A1CNR2RAB9ANPC1CA12
SCHEMBL887432 0.83 TACR3 (0.47) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL8610160 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL887430 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL887450 0.82 CTSK (0.53) SMN1; SMN2TSHRATMMAPT
SCHEMBL3923931 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL18362239 0.74 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRATMMAPT
SCHEMBL16245369 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL25366914 0.73 TACR3 (0.59) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL10143994 0.72 RAB9A (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1GAA

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
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 SMN1; SMN2 2249/4885ALDH1A1 1001/4885TSHR 2162/4885

“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.