SCHEMBL2785113

SCHEMBL2785113

Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ MAPT P10636 4/20 0.65
▸ LMNA P02545 3/20 0.65
▸ TSHR P16473 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ NLRP3 Q96P20 1/20 0.65
▸ CA2 P00918 1/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.55
▸ SAE1 Q9UBE0 1/20 0.55
▸ UBA2 Q9UBT2 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ IL18 Q14116 1/20 0.55
▸ KCNJ6 P48051 1/20 0.54

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
SCHEMBL4112467 0.87 MAPT (0.68) SMN1; SMN2RAB9ANPC1MAPTCA2
SCHEMBL30577265 0.86 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL4351643 0.84 MAPT (0.67) RAB9ANPC1MAPTLMNATSHR
SCHEMBL14433939 0.83 EPHX2 (0.58) RAB9ANPC1MAPTLMNATSHR
SCHEMBL12584977 0.83 NPC1 (0.77) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL4118302 0.83 NPC1 (0.77) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL4358449 0.82 MAPT (0.69) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL4111390 0.81 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL11054945 0.80 MAPT (0.81) SMN1; SMN2RAB9AMAPTLMNATSHR
SCHEMBL4110972 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4431959-B2 — — 2010-03-17 — — JP claimed
US-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS SUMMERS MICHAEL F 2008-09-11 — — US claimed
EP-1513959-A4 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIV MARYLAND AT BALTIMORE COU (US) 2008-07-23 — — EP claimed
JP-2005536717-A — — 2005-12-02 — — JP claimed
EP-1513959-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS University of Maryland at Baltimore County (US) 2005-03-16 — — EP claimed
US-20030228573-A1 Antiviral inhibition of capsid proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 — — US claimed
WO-2003089615-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2003-10-30 — — WO claimed
US-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS SUMMERS MICHAEL F 2008-09-11 — — US disclosed
EP-1513959-A4 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIV MARYLAND AT BALTIMORE COU (US) 2008-07-23 — — EP disclosed
US-7361459-B2 Antiviral inhibition of capsid proteins UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2008-04-22 — — US disclosed
EP-1513959-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS University of Maryland at Baltimore County (US) 2005-03-16 — — EP disclosed
US-20030228573-A1 Antiviral inhibition of capsid proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 — — US disclosed
WO-2003089615-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2003-10-30 — — 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 (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-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS CAPRIN1, CAPG, NCBP1 SMN1; SMN2 4006/4885RAB9A 2651/4885NPC1 660/4885
US-20030228573-A1 Antiviral inhibition of capsid proteins CAPRIN1, CAPG, NCBP1 SMN1; SMN2 4006/4885RAB9A 2651/4885NPC1 660/4885

“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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