SCHEMBL5376501

SCHEMBL5376501

Cc1csc(C2(Br)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NOS1 P29475 1/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
GAA P10253 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.31
CCR4 P51679 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GRM5 P41594 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5379029 0.75 NPC1 (0.33) GAARAB9ANPC1
SCHEMBL25929714 0.72 SMN1; SMN2 (0.38) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL23232310 0.72 SMN1; SMN2 (0.38) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL12886033 0.72 SMN1; SMN2 (0.42) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL5379335 0.72 SREBF2 (0.31) RAB9AMAPTL3MBTL1
SCHEMBL19070031 0.71 NOS1 (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL25933555 0.71 RAB9A (0.37) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL14367713 0.69 ADORA2A (0.48) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL697727 0.69 TP53 (0.42) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL26226198 0.69 SMN1; SMN2 (0.43) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211680-B2 Vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2005-04-14 US disclosed
CN-1173944-C Vitamin D-derivatives having a carbocyclic or heterocyclic substituent at C-25, method for the production thereof, intermediate products and use thereof for producing medicaments ���ֹɷݹ�˾ 2004-11-03 CN disclosed
US-6642218-B2 (5Z,7E,22E)-(1S,3R,24R)-25-(5-Propyloxazol-2-yl)-26,27-cyclo -9,10-secocholesta-5,7,10(19), 22-tetraene-1,3,24-triol for treatment of diseases characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-04 US disclosed
US-6613920-B1 25-(5-propylimidazol-2-yl)-26,27-cyclo-9, 10-secocholesta-5,7,10(19),22-tetraene-1,3,24-triol; antagonizes the action of calcitriol in HL 60 cells; hyperprolifierative diseases of the skin, tumor diseases and precancerous stages SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-02 US disclosed
US-6600058-B1 The invention concerns new vitamin D derivatives of general formula (I) a process for their production, their use for production of medicaments, and intermediate products used in the process. treating a patient for hyperprolifierative SCHERING AKTIENGELLSCHAFT (DE) 2003-07-29 US disclosed
EP-0900198-B1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-03-12 EP disclosed
US-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-25 US disclosed
CN-1216978-A Vitamin D-derivatives having a carbocyclic or heterocyclic substituent at C-25, method for the production thereof, intermediate products and use thereof for producing medicaments SCHERING AG (DE) 1999-05-19 CN 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-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS CYP2R1, VDR, CYP24A1 SMN1; SMN2 4868/4885NOS1 2597/4885SLC6A2 4835/4885
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments VDR, CYP24A1, CYP2R1 SMN1; SMN2 4483/4885NOS1 3645/4885SLC6A2 4368/4885

“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.