SCHEMBL3947756

SCHEMBL3947756

Cc1nnc(SCc2ccccc2)n(N)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 1/20 1.00
MAPT P10636 2/20 0.72
LMNA P02545 2/20 0.68
HTT P42858 1/20 0.67
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.54
PKM P14618 2/20 0.53
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL11717438 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL11716910 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL11722203 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL3947661 0.81 MAPT (0.78) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL11713302 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL11713346 0.72 POLB (0.63) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL6406874 0.71 LMNA (0.65) ALDH1A1KDM4ELMNAHTTRAB9A
SCHEMBL11720825 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL10599397 0.70 POLB (0.65) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL6403164 0.68 LMNA (0.65) ALDH1A1KDM4ELMNAHTTRAB9A

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-7485639-B2 4-(benzylidene-amino)-3-(methylsulfanyl)-4h-(1,2,4)triazin-5-one derivatives having a PDE-IV inhibiting and TNF-antagonistic effect for the treatment of cardiac diseases and allergies MERCK PATENT GMBH (DE) 2009-02-03 US disclosed
EP-1406878-B1 4-(BENZYLIDENE-AMINO)-3-(METHYLSULFANYL)-4H-(1, 2, 4) TRIAZIN-5-ONE DERIVATIVES HAVING A PDE-IV INHIBITING AND TNF-ANTAGONISTIC EFFECT FOR THE TREATMENT OF CARDIAC DISEASES AND ALLERGIES MERCK PATENT GMBH (DE) 2006-06-07 EP disclosed
US-20040176252-A1 4-(Benzylidene-amino)-3-methylsulfanyl)-4h-(1,2,4)triazin-5-one derivatives having a pde-iv inhibiting and tnf-antagonistic effect for the treatment of cardiac diseases and allergies MERCK PATENT GMBH (DE) 2004-09-09 US disclosed
EP-1406878-A1 4-(BENZYLIDENE-AMINO)-3-(METHYLSULFANYL)-4H-(1, 2, 4) TRIAZIN-5-ONE DERIVATIVES HAVING A PDE-IV INHIBITING AND TNF-ANTAGONISTIC EFFECT FOR THE TREATMENT OF CARDIAC DISEASES AND ALLERGIES MERCK PATENT GmbH (DE) 2004-04-14 EP disclosed
WO-2003008392-A1 4-(BENZYLIDENE-AMINO)-3-(METHYLSULFANYL)-4H-(1, 2, 4) TRIAZIN-5-ONE DERIVATIVES HAVING A PDE-IV INHIBITING AND TNF-ANTAGONISTIC EFFECT FOR THE TREATMENT OF CARDIAC DISEASES AND ALLERGIES MERCK PATENT GMBH (DE) 2003-01-30 WO disclosed
US-4346220-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-24 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-20040176252-A1 4-(Benzylidene-amino)-3-methylsulfanyl)-4h-(1,2,4)triazin-5-one derivatives having a pde-iv inhibiting and tnf-antagonistic effect for the treatment of cardiac diseases and allergies PDE4A, PDE12, PDE4B ALDH1A1 1767/4885KDM4E 718/4885MAPT 3123/4885

“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.