SCHEMBL3609789

SCHEMBL3609789

[O]C(=S)Nc1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 3/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49

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
SCHEMBL9178752 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MEN1CYP2C9HPGD
SCHEMBL1567980 0.82 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL4516142 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1CYP2C9HPGD
SCHEMBL9311653 0.80 SIGMAR1 (0.57) SMN1; SMN2ALDH1A1MEN1CYP2C9HPGD
SCHEMBL18415557 0.79 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL265014 0.79 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL34420050 0.79 CA12 (0.64) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL27609154 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MEN1CYP2C9HPGD
SCHEMBL4082544 0.78 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL380091 0.78 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 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 (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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 SMN1; SMN2 714/4885ALDH1A1 445/4885MEN1 1312/4885

“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.