SCHEMBL3099628

SCHEMBL3099628

Nc1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
GRM4 Q14833 5/20 0.65
PKM P14618 4/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 2/20 0.61
MITF O75030 1/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KDR P35968 4/20 0.60

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
SCHEMBL231897 0.85 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL28947571 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.84 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL3099619 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL23963298 0.83 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037590 0.83 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL10415452 0.83 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL20990144 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL18993402 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL7988912 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870968-B Iridium complex functionalized nano graphene catalyst, and preparation method and application thereof 烟台大学 2023-11-10 CN claimed
CN-116870968-A Iridium complex functionalized nano graphene catalyst, and preparation method and application thereof 烟台大学 2023-10-13 CN claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
CN-112703183-B Aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-06-10 CN disclosed
US-20240246915-A1 AMINONAPHTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-07-25 US disclosed
CN-117753408-A Preparation method of platinum-based catalyst for hydrogen isotope catalytic exchange 天津大学 2024-03-26 CN disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
CN-116870968-B Iridium complex functionalized nano graphene catalyst, and preparation method and application thereof 烟台大学 2023-11-10 CN disclosed
CN-116870968-B Iridium complex functionalized nano graphene catalyst, and preparation method and application thereof 烟台大学 2023-11-10 CN disclosed
US-20180319749-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2018-11-08 US disclosed
WO-2018136634-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY (US) 2018-07-26 WO disclosed
EP-2900238-B1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS UNIV VANDERBILT (US) 2017-12-06 EP disclosed
EP-2853565-A1 Glutamate receptor photomodulators Consejo Superior De Investigaciones Científicas (ES) 2015-04-01 EP disclosed
EP-2853565-A1 Glutamate receptor photomodulators Consejo Superior De Investigaciones Científicas (ES) 2015-04-01 EP disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (4 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS NPC1 2733/4885RAB9A 2884/4885SMN1; SMN2 1866/4885
US-20180319749-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 NPC1 2017/4885RAB9A 1327/4885SMN1; SMN2 713/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 NPC1 1274/4885RAB9A 1238/4885SMN1; SMN2 894/4885
US-20240246915-A1 AMINONAPHTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, ADRM1, UBQLN2 NPC1 1072/4885RAB9A 967/4885SMN1; SMN2 1213/4885

“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.