SCHEMBL3534947

SCHEMBL3534947

O=C/C=C/c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ KDM4E B2RXH2 7/20 0.59
▸ LMNA P02545 6/20 0.59
▸ PKM P14618 2/20 0.59
▸ MAPT P10636 7/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ HTT P42858 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC3 O15379 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
SCHEMBL29839704 1.00 RAB9A (0.59) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL372118 1.00 RAB9A (0.59) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.83 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL709664 0.81 NPC1 (0.56) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL709663 0.81 NPC1 (0.56) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL230838 0.79 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL714134 0.79 RAB9A (0.79) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL714135 0.79 RAB9A (0.79) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099515 0.78 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099524 0.78 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 — — US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 — — US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 — — US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 — — US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 — — US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 — — US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 — — US disclosed
US-7342026-B2 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2008-03-11 — — US disclosed
EP-1599449-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-11-30 — — EP disclosed
US-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2005-07-28 — — US disclosed
WO-2004076386-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-09-10 — — WO disclosed
EP-1351940-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS Institut de Recherche pour le Développement ( IRD) (FR) 2003-10-15 — — EP disclosed
WO-2002057238-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (IRD) (FR) 2002-07-25 — — WO disclosed
EP-0771796-B1 Substituted S-triazines and process for their preparation AGFA GEVAERT (BE) 2002-06-19 — — EP disclosed
US-6025390-A Heteroaromatic pentadienoic acid derivatives useful as inhibitors of bone resorption SMITHKLINE BEECHAM SPA (IT) 2000-02-15 — — US disclosed
EP-0912539-A1 HETEROAROMATIC PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION Smithkline Beecham S.p.A. (IT) 1999-05-06 — — EP disclosed
WO-1998001436-A1 HETEROAROMATIC PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 — — WO disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 — — 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-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections C1S, C5, NSFL1C RAB9A 1036/4885NPC1 242/4885KDM4E 3607/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 RAB9A 1482/4885NPC1 1468/4885KDM4E 72/4885

“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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