SCHEMBL4834304

SCHEMBL4834304

Cc1ccc2c(c1)OC(C)(C)N/C2=C\C(=O)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
KDM1A O60341 8/20 0.36
ABCC9 O60706 1/20 0.35
ALK Q9UM73 1/20 0.33
MAPT P10636 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
P4HB P07237 1/20 0.33

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
SCHEMBL4833929 0.91 SMN1; SMN2 (0.38) SMN1; SMN2NPC1TP53RAB9AKDM1A
SCHEMBL4844726 0.88 ABCC9 (0.38) SMN1; SMN2NPC1TP53RAB9AKDM1A
SCHEMBL4844276 0.86 MDM2 (0.39) SMN1; SMN2TP53RAB9AMAPTP4HB
SCHEMBL4846988 0.85 MAPT (0.38) SMN1; SMN2RAB9AABCC9MAPTP4HB
SCHEMBL4842742 0.85 RAB9A (0.38) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL4843102 0.82 RAB9A (0.37) SMN1; SMN2RAB9AABCC9MAPTCCNB2
SCHEMBL4841781 0.82 ABCC9 (0.40) SMN1; SMN2NPC1RAB9AABCC9MAPT
SCHEMBL4835102 0.80 MDM2 (0.39) SMN1; SMN2TP53RAB9AABCC9MAPT
SCHEMBL4844376 0.78 KMT2A (0.45) SMN1; SMN2NPC1TP53RAB9AKDM1A
SCHEMBL4844365 0.78 KMT2A (0.45) SMN1; SMN2NPC1TP53RAB9AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP claimed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US claimed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP 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 (2 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 SMN1; SMN2 4086/4885NPC1 1943/4885TP53 357/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 SMN1; SMN2 144/4885NPC1 985/4885TP53 2237/4885

“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.