SCHEMBL3796608

SCHEMBL3796608

COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 1.00
▸ TSHR P16473 1/20 0.82
▸ MAPK1 P28482 1/20 0.81
▸ LMNA P02545 3/20 0.76
▸ MAPT P10636 2/20 0.71
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.63
▸ THRB P10828 2/20 0.63

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
SCHEMBL1702530 0.83 CYP1A2 (0.92) ALDH1A1MAPK1LMNACYP1A2CYP3A4
SCHEMBL24029199 0.82 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP1A2CYP3A4
SCHEMBL24210197 0.81 ALDH1A1 (0.83) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL1611132 0.79 ALDH1A1 (0.67) ALDH1A1MAPK1LMNACYP1A2CYP3A4
SCHEMBL27782464 0.79 SMN1; SMN2 (0.76) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL11515264 0.78 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1MAPTCYP1A2
SCHEMBL8188675 0.77 ALDH1A1 (0.72) ALDH1A1MAPK1MAPTCYP1A2CYP3A4
SCHEMBL27804013 0.74 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1MAPTCYP1A2
SCHEMBL24019615 0.74 NPSR1 (0.62) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL3655081 0.73 PTPN1 (0.67) ALDH1A1LMNAMAPT

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-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 — — US claimed
US-20120157538-A1 Compounds for the Inhibition of Herpes Viruses UNIVERSITE LAVAL (CA) 2012-06-21 — — US claimed
WO-2010132992-A1 COMPOUNDS FOR THE INHIBITION OF HERPESVIRUSES UNIVERSITé LAVAL (CA) 2010-11-25 — — WO claimed
US-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 — — US disclosed
US-20120157538-A1 Compounds for the Inhibition of Herpes Viruses UNIVERSITE LAVAL (CA) 2012-06-21 — — US disclosed
WO-2010132992-A1 COMPOUNDS FOR THE INHIBITION OF HERPESVIRUSES UNIVERSITé LAVAL (CA) 2010-11-25 — — 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-20120157538-A1 Compounds for the Inhibition of Herpes Viruses NOS3, NOS1, DNA2 ALDH1A1 4683/4885TSHR 4271/4885MAPK1 363/4885

“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.

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