SCHEMBL206103

SCHEMBL206103

Clc1ccc2n[c]sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
DYRK1A Q13627 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
APP P05067 2/20 0.36
FSCN1 Q16658 1/20 0.36
PPARA Q07869 1/20 0.36
NPSR1 Q6W5P4 3/20 0.33
BCKDK O14874 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
SCHEMBL209055 0.83 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL206753 0.75 GFER (0.44) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL212513 0.75 MAPT (0.44) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4718799 0.75 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL6601753 0.75 HTT (0.44) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL20542591 0.74
SCHEMBL211098 0.74 MAPK13 (0.36) DYRK1A
SCHEMBL5535847 0.72 PIK3CA (0.50) ALDH1A1GAADYRK1APIK3CG
SCHEMBL11224145 0.71 APP (0.42) KDM4EALDH1A1GAADYRK1AAPP
SCHEMBL11122399 0.71 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-11 US claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2021-05-20 US claimed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN claimed
EP-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 EP claimed
CN-111094233-A Compounds, compositions and methods 戴纳立制药公司 2020-05-01 CN claimed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 WO claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US claimed
EP-1100797-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES Pfizer Limited (GB) 2001-05-23 EP claimed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO claimed
US-5639282-A MONOAZO DYE CONTAINING CARBOXYLIC ESTER; GOOD FASTNESS, ALKALI STABILITY DYSTAR JAPAN, LTD. (JP) 1997-06-17 US claimed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US claimed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
US-4022762-A Water-soluble acid azo dyestuff containing a N-(p-sulphophenoxyalkyl)-N-alkyl amino group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-05-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 SMN1; SMN2 2272/4885NPC1 969/4885RAB9A 1530/4885
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR SMN1; SMN2 3009/4885NPC1 1202/4885RAB9A 2680/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA SMN1; SMN2 4488/4885NPC1 3137/4885RAB9A 1311/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S SMN1; SMN2 3963/4885NPC1 2305/4885RAB9A 4766/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR SMN1; SMN2 3009/4885NPC1 1202/4885RAB9A 2680/4885
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E SMN1; SMN2 1096/4885NPC1 995/4885RAB9A 1095/4885

“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.